1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene

C23H30F2 — CID 159834105

IUPAC1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2=CCC(C3CCC(CC4CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H30F2/c1-15-2-13-21(23(25)22(15)24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-16-3-4-16/h2,11,13,16-19H,3-10,12,14H2,1H3
InChIKeyOBZVELMKDVQCAC-UHFFFAOYSA-N
MW344.49 g/mol
LogP7.06
Rot. Bonds4

About 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene

1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene (PubChem CID 159834105) has the molecular formula C23H30F2 and a molecular weight of 344.49 g/mol. Its IUPAC name is 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
PubChem CID159834105
Molecular FormulaC23H30F2
Molecular Weight344.49 g/mol
Exact Mass344.23
IUPAC Name1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2=CCC(C3CCC(CC4CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H30F2/c1-15-2-13-21(23(25)22(15)24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-16-3-4-16/h2,11,13,16-19H,3-10,12,14H2,1H3
InChIKeyOBZVELMKDVQCAC-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[4-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-methylbenzene
CID 76631882
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methoxybenzene
CID 170390824
1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67739727
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol
CID 89203839
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
CID 134252787
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2,3-difluorophenol
CID 89203747
1-[[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]methoxy]-2,3-difluoro-4-methylbenzene
CID 170196996
1-[4-(4-ethylcyclohexyl)but-3-enyl]-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 77417388
2-[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]cyclohex-3-en-1-yl]cyclohexyl]acetaldehyde
CID 89203743

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene (CID 159834105) is 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene is Cc1ccc(C2=CCC(C3CCC(CC4CC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene?
The InChIKey is OBZVELMKDVQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2/c1-15-2-13-21(23(25)22(15)24)20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-16-3-4-16/h2,11,13,16-19H,3-10,12,14H2,1H3.
What are the key properties of 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene?
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene has a molecular weight of 344.49 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 159834105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).