1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene

C96H121Cl4F9N2 — CID 157455194

IUPAC1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene
SMILESCC(C)Cc1ccccc1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(F)cccc1Cl.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(Cl)c1F.CC(C)c1ncccc1F.Cc1c(F)cccc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.Cc1cnc(C(C)C)c(F)c1
InChIInChI=1S/2C11H16.C10H10F4.C10H13F.C10H14.C9H10Cl2.2C9H10ClF.C9H12FN.C8H10FN/c1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)9-5-4-6-10(11)8(9)3;1-9(2)8-10-6-4-3-5-7-10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-7(9)4-3-5-10-8/h2*5-8H,1-4H3;3-6H,1-2H3;4-7H,1-3H3;3-7,9H,8H2,1-2H3;3*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyBTGQABYBRYSPQS-UHFFFAOYSA-N
MW1615.83 g/mol
LogP33.28
Rot. Bonds11

About 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene

1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene (PubChem CID 157455194) has the molecular formula C96H121Cl4F9N2 and a molecular weight of 1615.83 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene
PubChem CID157455194
Molecular FormulaC96H121Cl4F9N2
Molecular Weight1615.83 g/mol
Exact Mass1612.81
IUPAC Name1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene
SMILESCC(C)Cc1ccccc1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(F)cccc1Cl.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(Cl)c1F.CC(C)c1ncccc1F.Cc1c(F)cccc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.Cc1cnc(C(C)C)c(F)c1
InChIInChI=1S/2C11H16.C10H10F4.C10H13F.C10H14.C9H10Cl2.2C9H10ClF.C9H12FN.C8H10FN/c1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)9-5-4-6-10(11)8(9)3;1-9(2)8-10-6-4-3-5-7-10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-7(9)4-3-5-10-8/h2*5-8H,1-4H3;3-6H,1-2H3;4-7H,1-3H3;3-7,9H,8H2,1-2H3;3*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyBTGQABYBRYSPQS-UHFFFAOYSA-N
XLogP33.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001615.83
LogP ≤ 533.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene with MolForge

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Related Compounds

4-(3,5-Dichlorophenyl)-1-[[3-[3-[[4-(3,5-dichlorophenyl)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 44396816
4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890
2-(4'-(Tert-butyl)-4-chloro-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908905
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(5-chloro-3-fluoropyridine)
CID 155908919
2-[3-[Difluoro(naphthalen-1-yl)methyl]phenyl]pyridine
CID 168351622
Tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
CID 22184121
1-(5-chloropyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58920277
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58921703
3-[2-(Trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]pyridin-2-yl]phenyl]phenyl]pyridine
CID 58947587
2-[3-[2,5-Diphenyl-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
CID 59609340
2-[3-[2,5-Bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
CID 59609432

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene?
The IUPAC name of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene (CID 157455194) is 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene is CC(C)Cc1ccccc1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(F)cccc1Cl.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(Cl)c1F.CC(C)c1ncccc1F.Cc1c(F)cccc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.Cc1cnc(C(C)C)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene?
The InChIKey is BTGQABYBRYSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16.C10H10F4.C10H13F.C10H14.C9H10Cl2.2C9H10ClF.C9H12FN.C8H10FN/c1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)9-5-4-6-10(11)8(9)3;1-9(2)8-10-6-4-3-5-7-10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-7(9)4-3-5-10-8/h2*5-8H,1-4H3;3-6H,1-2H3;4-7H,1-3H3;3-7,9H,8H2,1-2H3;3*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene?
1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene has a molecular weight of 1615.83 g/mol, XLogP of 33.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;2-methylpropylbenzene is sourced from PubChem (CID 157455194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).