2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene

C21H23F3 — CID 118593483

IUPAC2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(F)cc3)c(F)c2F)CC1
InChIInChI=1S/C21H23F3/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(21(24)20(18)23)16-8-10-17(22)11-9-16/h8-15H,2-7H2,1H3
InChIKeyVEOVCNYODKLPBR-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.84
Rot. Bonds4

About 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene

2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene (PubChem CID 118593483) has the molecular formula C21H23F3 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
PubChem CID118593483
Molecular FormulaC21H23F3
Molecular Weight332.41 g/mol
Exact Mass332.18
IUPAC Name2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(F)cc3)c(F)c2F)CC1
InChIInChI=1S/C21H23F3/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(21(24)20(18)23)16-8-10-17(22)11-9-16/h8-15H,2-7H2,1H3
InChIKeyVEOVCNYODKLPBR-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331621
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
2-[2,3-difluoro-4-(4-fluorophenyl)phenyl]-5-propyloxane
CID 118593500
2,3-difluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethenyl]phenyl]-4-(4-propylcyclohexyl)benzene
CID 77470859
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
CID 118595774
1-[4-[2-(4-ethyl-3-fluorophenyl)ethenyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470860

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene (CID 118593483) is 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(-c3ccc(F)cc3)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene?
The InChIKey is VEOVCNYODKLPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(21(24)20(18)23)16-8-10-17(22)11-9-16/h8-15H,2-7H2,1H3.
What are the key properties of 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene?
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene has a molecular weight of 332.41 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 118593483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).