1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene

C17H22F2 — CID 14495643

IUPAC1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
SMILESCCCCCC1CC=C(c2cccc(F)c2F)CC1
InChIInChI=1S/C17H22F2/c1-2-3-4-6-13-9-11-14(12-10-13)15-7-5-8-16(18)17(15)19/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3
InChIKeyCJQKISQXCNVKNG-UHFFFAOYSA-N
MW264.36 g/mol
LogP5.73
Rot. Bonds5

About 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene

1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene (PubChem CID 14495643) has the molecular formula C17H22F2 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
PubChem CID14495643
Molecular FormulaC17H22F2
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
SMILESCCCCCC1CC=C(c2cccc(F)c2F)CC1
InChIInChI=1S/C17H22F2/c1-2-3-4-6-13-9-11-14(12-10-13)15-7-5-8-16(18)17(15)19/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3
InChIKeyCJQKISQXCNVKNG-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.36
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene
CID 19108157
4-bromo-2-fluoro-1-(4-pentylcyclohexen-1-yl)benzene
CID 58687490
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
[4-[2,3-difluoro-4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]-trimethylsilane;[4-(2,3-difluorophenyl)phenyl]-trimethylsilane;4-methylbenzenesulfonic acid;4-pentylcyclohexan-1-one
CID 162089693
1-butyl-3-chloro-2-fluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257379
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
2-chloro-3-fluoro-1-(4-heptylcyclohexen-1-yl)-4-methoxybenzene
CID 59257444
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-4-methylbenzene
CID 67731127

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene?
The IUPAC name of 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene (CID 14495643) is 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene?
The canonical SMILES for 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene is CCCCCC1CC=C(c2cccc(F)c2F)CC1.
What is the InChIKey of 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene?
The InChIKey is CJQKISQXCNVKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2/c1-2-3-4-6-13-9-11-14(12-10-13)15-7-5-8-16(18)17(15)19/h5,7-8,11,13H,2-4,6,9-10,12H2,1H3.
What are the key properties of 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene?
1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene has a molecular weight of 264.36 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene is sourced from PubChem (CID 14495643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).