1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene

C24H33ClF2O — CID 18656507

IUPAC1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene
SMILESCOCc1ccc(CCC2CCC(C3CCC(/C=C/Cl)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H33ClF2O/c1-28-16-22-13-12-21(23(26)24(22)27)11-6-17-2-7-19(8-3-17)20-9-4-18(5-10-20)14-15-25/h12-15,17-20H,2-11,16H2,1H3/b15-14+
InChIKeyWRZUQHWLXSZGRH-CCEZHUSRSA-N
MW410.98 g/mol
LogP7.41
Rot. Bonds7

About 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene

1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene (PubChem CID 18656507) has the molecular formula C24H33ClF2O and a molecular weight of 410.98 g/mol. Its IUPAC name is 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene
PubChem CID18656507
Molecular FormulaC24H33ClF2O
Molecular Weight410.98 g/mol
Exact Mass410.22
IUPAC Name1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene
SMILESCOCc1ccc(CCC2CCC(C3CCC(/C=C/Cl)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H33ClF2O/c1-28-16-22-13-12-21(23(26)24(22)27)11-6-17-2-7-19(8-3-17)20-9-4-18(5-10-20)14-15-25/h12-15,17-20H,2-11,16H2,1H3/b15-14+
InChIKeyWRZUQHWLXSZGRH-CCEZHUSRSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.98
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene with MolForge

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Related Compounds

1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-methoxybenzene
CID 18656504
1-chloro-4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluorobenzene
CID 18656484
4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(methoxymethyl)benzene
CID 18656509
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
5-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18656529
N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
CID 147338785
1-bromo-4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 54333614
5-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-propoxybenzene
CID 54194116
1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
CID 142376936
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
2,2,2-trifluoro-1-[2-[2-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]ethyl]phenyl]ethanone
CID 54077238

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene?
The IUPAC name of 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene (CID 18656507) is 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene?
The canonical SMILES for 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene is COCc1ccc(CCC2CCC(C3CCC(/C=C/Cl)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene?
The InChIKey is WRZUQHWLXSZGRH-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H33ClF2O/c1-28-16-22-13-12-21(23(26)24(22)27)11-6-17-2-7-19(8-3-17)20-9-4-18(5-10-20)14-15-25/h12-15,17-20H,2-11,16H2,1H3/b15-14+.
What are the key properties of 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene?
1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene has a molecular weight of 410.98 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene is sourced from PubChem (CID 18656507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).