1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene

C25H32F2O — CID 170065989

IUPAC1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
SMILESC=COc1ccc(C2=CCC(C3CCC(C4CCCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H32F2O/c1-2-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(8-10-19)17-5-3-4-6-17/h2,13,15-20H,1,3-12,14H2
InChIKeyYWQYIMXMJKDTQH-UHFFFAOYSA-N
MW386.53 g/mol
LogP7.67
Rot. Bonds5

About 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene

1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene (PubChem CID 170065989) has the molecular formula C25H32F2O and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
PubChem CID170065989
Molecular FormulaC25H32F2O
Molecular Weight386.53 g/mol
Exact Mass386.24
IUPAC Name1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene
SMILESC=COc1ccc(C2=CCC(C3CCC(C4CCCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H32F2O/c1-2-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(8-10-19)17-5-3-4-6-17/h2,13,15-20H,1,3-12,14H2
InChIKeyYWQYIMXMJKDTQH-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67739870
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methoxybenzene
CID 170390824
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethoxy)benzene;ethane
CID 142541001
1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
CID 134252787
1-(4-cyclohexylcyclohexen-1-yl)-2,3-difluoro-4-(2-fluoroethyl)benzene
CID 134255989
1-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67740145
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740116
2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol
CID 89203839
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-3-chloro-4-ethoxy-2-fluorobenzene
CID 59256952
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-[(Z)-pent-1-enoxy]benzene
CID 88998246
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene (CID 170065989) is 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene is C=COc1ccc(C2=CCC(C3CCC(C4CCCC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene?
The InChIKey is YWQYIMXMJKDTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2O/c1-2-28-23-16-15-22(24(26)25(23)27)21-13-11-20(12-14-21)19-9-7-18(8-10-19)17-5-3-4-6-17/h2,13,15-20H,1,3-12,14H2.
What are the key properties of 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene?
1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene has a molecular weight of 386.53 g/mol, XLogP of 7.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopentylcyclohexyl)cyclohexen-1-yl]-4-ethenoxy-2,3-difluorobenzene is sourced from PubChem (CID 170065989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).