1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene

C25H32F2 — CID 67895695

IUPAC1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3)c(F)c2F)CC1
InChIInChI=1S/C25H32F2/c1-3-5-19-6-8-20(9-7-19)12-15-22-16-17-23(25(27)24(22)26)21-13-10-18(4-2)11-14-21/h10-11,13-14,16-17,19-20H,3-9,12,15H2,1-2H3
InChIKeyDBUOSOIDUFPNSE-UHFFFAOYSA-N
MW370.53 g/mol
LogP7.73
Rot. Bonds7

About 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene

1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 67895695) has the molecular formula C25H32F2 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID67895695
Molecular FormulaC25H32F2
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3)c(F)c2F)CC1
InChIInChI=1S/C25H32F2/c1-3-5-19-6-8-20(9-7-19)12-15-22-16-17-23(25(27)24(22)26)21-13-10-18(4-2)11-14-21/h10-11,13-14,16-17,19-20H,3-9,12,15H2,1-2H3
InChIKeyDBUOSOIDUFPNSE-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
2,3-difluoro-1-(5-methoxypentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 90049299
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 154607339
2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
CID 154607212
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane
CID 58535403
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene (CID 67895695) is 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene is CCCC1CCC(CCc2ccc(-c3ccc(CC)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is DBUOSOIDUFPNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2/c1-3-5-19-6-8-20(9-7-19)12-15-22-16-17-23(25(27)24(22)26)21-13-10-18(4-2)11-14-21/h10-11,13-14,16-17,19-20H,3-9,12,15H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene?
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 370.53 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 67895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).