1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene

C20H26F2 — CID 134252787

IUPAC1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
SMILESCCc1ccc(C2=CCC(C3CCCCC3)CC2)c(F)c1F
InChIInChI=1S/C20H26F2/c1-2-14-12-13-18(20(22)19(14)21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h10,12-13,15-16H,2-9,11H2,1H3
InChIKeyDYSYIBWTUXUFMI-UHFFFAOYSA-N
MW304.42 g/mol
LogP6.29
Rot. Bonds3

About 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene

1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene (PubChem CID 134252787) has the molecular formula C20H26F2 and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
PubChem CID134252787
Molecular FormulaC20H26F2
Molecular Weight304.42 g/mol
Exact Mass304.20
IUPAC Name1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
SMILESCCc1ccc(C2=CCC(C3CCCCC3)CC2)c(F)c1F
InChIInChI=1S/C20H26F2/c1-2-14-12-13-18(20(22)19(14)21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h10,12-13,15-16H,2-9,11H2,1H3
InChIKeyDYSYIBWTUXUFMI-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene
CID 134255989
1-[4-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67740179
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
2,3-difluoro-1-pentyl-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 76631739
1-[4-(4-ethylcyclohexyl)but-3-enyl]-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 77417388
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
1-(4-cyclohexylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67739870
1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
CID 170065989
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methoxybenzene
CID 170390824
1-decyl-4-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluorobenzene
CID 67740005

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene (CID 134252787) is 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene is CCc1ccc(C2=CCC(C3CCCCC3)CC2)c(F)c1F.
What is the InChIKey of 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene?
The InChIKey is DYSYIBWTUXUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2/c1-2-14-12-13-18(20(22)19(14)21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h10,12-13,15-16H,2-9,11H2,1H3.
What are the key properties of 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene?
1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene has a molecular weight of 304.42 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 134252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).