4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene

C24H34ClFO — CID 18656509

IUPAC4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene
SMILESCOCc1ccc(CCC2CCC(C3CCC(/C=C/Cl)CC3)CC2)cc1F
InChIInChI=1S/C24H34ClFO/c1-27-17-23-13-8-20(16-24(23)26)3-2-18-4-9-21(10-5-18)22-11-6-19(7-12-22)14-15-25/h8,13-16,18-19,21-22H,2-7,9-12,17H2,1H3/b15-14+
InChIKeyKZHNVJCZIUWXJQ-CCEZHUSRSA-N
MW392.99 g/mol
LogP7.27
Rot. Bonds7

About 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene

4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene (PubChem CID 18656509) has the molecular formula C24H34ClFO and a molecular weight of 392.99 g/mol. Its IUPAC name is 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene.

Molecular Properties

Compound Name4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene
PubChem CID18656509
Molecular FormulaC24H34ClFO
Molecular Weight392.99 g/mol
Exact Mass392.23
IUPAC Name4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene
SMILESCOCc1ccc(CCC2CCC(C3CCC(/C=C/Cl)CC3)CC2)cc1F
InChIInChI=1S/C24H34ClFO/c1-27-17-23-13-8-20(16-24(23)26)3-2-18-4-9-21(10-5-18)22-11-6-19(7-12-22)14-15-25/h8,13-16,18-19,21-22H,2-7,9-12,17H2,1H3/b15-14+
InChIKeyKZHNVJCZIUWXJQ-CCEZHUSRSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.99
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene with MolForge

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Related Compounds

1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene
CID 18656507
1-bromo-4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 54333614
1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656204
1-chloro-2-fluoro-4-[2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 19097896
5-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18656529
5-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-propoxybenzene
CID 54194116
1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-methoxybenzene
CID 18656504
2-fluoro-4-[2-(4-prop-1-enylcyclohexyl)ethyl]-1-(propoxymethyl)benzene
CID 54382352
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
1-chloro-4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluorobenzene
CID 18656484
1-bromo-4-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656533
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene?
The IUPAC name of 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene (CID 18656509) is 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene.
What is the SMILES notation for 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene?
The canonical SMILES for 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene is COCc1ccc(CCC2CCC(C3CCC(/C=C/Cl)CC3)CC2)cc1F.
What is the InChIKey of 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene?
The InChIKey is KZHNVJCZIUWXJQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H34ClFO/c1-27-17-23-13-8-20(16-24(23)26)3-2-18-4-9-21(10-5-18)22-11-6-19(7-12-22)14-15-25/h8,13-16,18-19,21-22H,2-7,9-12,17H2,1H3/b15-14+.
What are the key properties of 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene?
4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene has a molecular weight of 392.99 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene is sourced from PubChem (CID 18656509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).