5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene

C178H206Cl4F35N3O4 — CID 157336322

IUPAC5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1cc(C(F)(F)F)cc(Cl)c1F.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(F)c(C#N)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.COc1cc(C(C)C)ccc1C(F)(F)F.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1[N+](=O)[O-].Cc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C11H13F3O.C11H13F3.C11H16.C10H9ClF4.2C10H10F4.C10H12F3N.C10H12F2.C10H10FN.C10H13FO.2C10H13F.C10H13NO2.C9H10Cl2.C9H10ClF.C9H9F3.2C9H10F2/c1-7(2)8-4-5-9(11(12,13)14)10(6-8)15-3;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)11-6-5-9(3)10(4)7-11;1-5(2)7-3-6(10(13,14)15)4-8(11)9(7)12;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-6(2)9-8(11)5-4-7(3)10(9)12;1-7(2)8-3-4-10(11)9(5-8)6-12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)10(6-9)11(12)13;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)9-7(11)3-6(10)4-8(9)12;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)7-3-4-8(10)9(11)5-7/h4-7H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;3-5H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3
InChIKeyBFWNEGHUPVJRFZ-UHFFFAOYSA-N
MW3258.36 g/mol
LogP63.20
Rot. Bonds20

About 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene

5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene (PubChem CID 157336322) has the molecular formula C178H206Cl4F35N3O4 and a molecular weight of 3258.36 g/mol. Its IUPAC name is 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
PubChem CID157336322
Molecular FormulaC178H206Cl4F35N3O4
Molecular Weight3258.36 g/mol
Exact Mass3254.42
IUPAC Name5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1cc(C(F)(F)F)cc(Cl)c1F.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(F)c(C#N)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.COc1cc(C(C)C)ccc1C(F)(F)F.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1[N+](=O)[O-].Cc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C11H13F3O.C11H13F3.C11H16.C10H9ClF4.2C10H10F4.C10H12F3N.C10H12F2.C10H10FN.C10H13FO.2C10H13F.C10H13NO2.C9H10Cl2.C9H10ClF.C9H9F3.2C9H10F2/c1-7(2)8-4-5-9(11(12,13)14)10(6-8)15-3;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)11-6-5-9(3)10(4)7-11;1-5(2)7-3-6(10(13,14)15)4-8(11)9(7)12;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-6(2)9-8(11)5-4-7(3)10(9)12;1-7(2)8-3-4-10(11)9(5-8)6-12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)10(6-9)11(12)13;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)9-7(11)3-6(10)4-8(9)12;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)7-3-4-8(10)9(11)5-7/h4-7H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;3-5H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3
InChIKeyBFWNEGHUPVJRFZ-UHFFFAOYSA-N
XLogP63.20
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003258.36
LogP ≤ 563.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene?
The IUPAC name of 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene (CID 157336322) is 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene?
The canonical SMILES for 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1cc(C(F)(F)F)cc(Cl)c1F.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1ccc(Cl)c(Cl)c1.CC(C)c1ccc(F)c(C#N)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(F)c1.COc1cc(C(C)C)ccc1C(F)(F)F.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1[N+](=O)[O-].Cc1ccc(F)c(C(C)C)c1F.
What is the InChIKey of 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene?
The InChIKey is BFWNEGHUPVJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O.C11H13F3.C11H16.C10H9ClF4.2C10H10F4.C10H12F3N.C10H12F2.C10H10FN.C10H13FO.2C10H13F.C10H13NO2.C9H10Cl2.C9H10ClF.C9H9F3.2C9H10F2/c1-7(2)8-4-5-9(11(12,13)14)10(6-8)15-3;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-8(2)11-6-5-9(3)10(4)7-11;1-5(2)7-3-6(10(13,14)15)4-8(11)9(7)12;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-6(2)9-8(11)5-4-7(3)10(9)12;1-7(2)8-3-4-10(11)9(5-8)6-12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-8(3)10(6-9)11(12)13;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)9-7(11)3-6(10)4-8(9)12;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)7-3-4-8(10)9(11)5-7/h4-7H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;3-5H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene?
5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene has a molecular weight of 3258.36 g/mol, XLogP of 63.20, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(trifluoromethyl)pyridine;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2-dichloro-4-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzonitrile;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2-nitro-4-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 157336322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).