1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene

C24H32F4 — CID 58665410

IUPAC1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
SMILESCC1CCC(CCc2ccc(C3CCC(C=C(F)C(F)(F)F)CC3)cc2)CC1
InChIInChI=1S/C24H32F4/c1-17-2-4-18(5-3-17)6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)16-23(25)24(26,27)28/h8-9,12-13,16-18,20,22H,2-7,10-11,14-15H2,1H3
InChIKeyFLPRMXLUJZISGL-UHFFFAOYSA-N
MW396.51 g/mol
LogP8.14
Rot. Bonds5

About 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene

1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene (PubChem CID 58665410) has the molecular formula C24H32F4 and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
PubChem CID58665410
Molecular FormulaC24H32F4
Molecular Weight396.51 g/mol
Exact Mass396.24
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
SMILESCC1CCC(CCc2ccc(C3CCC(C=C(F)C(F)(F)F)CC3)cc2)CC1
InChIInChI=1S/C24H32F4/c1-17-2-4-18(5-3-17)6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)16-23(25)24(26,27)28/h8-9,12-13,16-18,20,22H,2-7,10-11,14-15H2,1H3
InChIKeyFLPRMXLUJZISGL-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene (CID 58665410) is 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene is CC1CCC(CCc2ccc(C3CCC(C=C(F)C(F)(F)F)CC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
The InChIKey is FLPRMXLUJZISGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F4/c1-17-2-4-18(5-3-17)6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)16-23(25)24(26,27)28/h8-9,12-13,16-18,20,22H,2-7,10-11,14-15H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene?
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene has a molecular weight of 396.51 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene is sourced from PubChem (CID 58665410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).