1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

C91H105Cl7F12N2 — CID 159116304

IUPAC1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1c(F)cccc1F.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10F4.C10H11F3.C9H10Cl2.C9H9ClF3N.3C9H11Cl.C9H10F2.C9H12.C8H10ClN/c1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)7-3-8(10)5-9(11)4-7;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-7(10)4-3-5-8(9)11;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyKFDBCFLIKZGRKI-UHFFFAOYSA-N
MW1703.00 g/mol
LogP34.94
Rot. Bonds10

About 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 159116304) has the molecular formula C91H105Cl7F12N2 and a molecular weight of 1703.00 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID159116304
Molecular FormulaC91H105Cl7F12N2
Molecular Weight1703.00 g/mol
Exact Mass1698.59
IUPAC Name1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1c(F)cccc1F.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10F4.C10H11F3.C9H10Cl2.C9H9ClF3N.3C9H11Cl.C9H10F2.C9H12.C8H10ClN/c1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)7-3-8(10)5-9(11)4-7;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-7(10)4-3-5-8(9)11;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyKFDBCFLIKZGRKI-UHFFFAOYSA-N
XLogP34.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001703.00
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene 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
Tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
CID 22184121
4-(2,4-Dichlorophenyl)-2-(3,5-difluorophenyl)pyridine
CID 54339952
2-(4-Chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 57181978
4-[[4-(4-Chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
CID 57196190
N-[(3-chlorophenyl)methyl]-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58920041
1-(5-chloropyridin-2-yl)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58920159
1-(5-chloropyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58920277
N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58920415

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 159116304) is 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1c(F)cccc1F.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is KFDBCFLIKZGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4.C10H11F3.C9H10Cl2.C9H9ClF3N.3C9H11Cl.C9H10F2.C9H12.C8H10ClN/c1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)7-3-8(10)5-9(11)4-7;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-7(10)4-3-5-8(9)11;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 1703.00 g/mol, XLogP of 34.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159116304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).