1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane

C24H38F4 — CID 58665476

IUPAC1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(CCC3CCC(C=C(F)C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C24H38F4/c1-17-2-12-21(13-3-17)22-14-10-19(11-15-22)5-4-18-6-8-20(9-7-18)16-23(25)24(26,27)28/h16-22H,2-15H2,1H3
InChIKeyAZLHANQJAMVKTM-UHFFFAOYSA-N
MW402.56 g/mol
LogP8.62
Rot. Bonds5

About 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane

1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane (PubChem CID 58665476) has the molecular formula C24H38F4 and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
PubChem CID58665476
Molecular FormulaC24H38F4
Molecular Weight402.56 g/mol
Exact Mass402.29
IUPAC Name1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(CCC3CCC(C=C(F)C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C24H38F4/c1-17-2-12-21(13-3-17)22-14-10-19(11-15-22)5-4-18-6-8-20(9-7-18)16-23(25)24(26,27)28/h16-22H,2-15H2,1H3
InChIKeyAZLHANQJAMVKTM-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
CID 58665405
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]benzene
CID 58665410
2-fluoro-4-(4-methylcyclohexyl)-1-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]benzene
CID 58665519
[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopentane
CID 11480825
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen
CID 158672949
1-ethenyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 54410794
cyclohexylcyclohexane;1-(2,2-difluoroethenyl)-4-(4-methylcyclohexyl)cyclohexane
CID 91094465
1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane
CID 58526771
1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane
CID 54147269
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane (CID 58665476) is 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane is CC1CCC(C2CCC(CCC3CCC(C=C(F)C(F)(F)F)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
The InChIKey is AZLHANQJAMVKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F4/c1-17-2-12-21(13-3-17)22-14-10-19(11-15-22)5-4-18-6-8-20(9-7-18)16-23(25)24(26,27)28/h16-22H,2-15H2,1H3.
What are the key properties of 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane?
1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane has a molecular weight of 402.56 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 58665476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).