1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane

C16H23F5 — CID 59882253

IUPAC1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane
SMILESCC1CCC(/C(F)=C(/F)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H23F5/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(9-7-12)16(19,20)21/h10-13H,2-9H2,1H3/b15-14-
InChIKeyUCCFKLZFMHZWQW-PFONDFGASA-N
MW310.35 g/mol
LogP6.33
Rot. Bonds2

About 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane

1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane (PubChem CID 59882253) has the molecular formula C16H23F5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane
PubChem CID59882253
Molecular FormulaC16H23F5
Molecular Weight310.35 g/mol
Exact Mass310.17
IUPAC Name1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane
SMILESCC1CCC(/C(F)=C(/F)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H23F5/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(9-7-12)16(19,20)21/h10-13H,2-9H2,1H3/b15-14-
InChIKeyUCCFKLZFMHZWQW-PFONDFGASA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-2,3-difluoro-4-methylcyclohexane
CID 20645963
2-Fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene
CID 23399391
(E)-1,2-bis(trans-4-n-propylcyclohexyl)-1,2-difluoroethylene
CID 44138633
1-[1,2-Difluoro-2-(4-propylcyclohexyl)ethenyl]-4-propylcyclohexane
CID 53731204
1-Butyl-4-[1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexane
CID 54163194
1-Methyl-4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane
CID 58665414
1-Heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 58665420
1-butyl-4-[4-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 58665436
1,2,3,3,3-Pentafluoro-1-[(1beta)-4alpha-[(1alpha)-4beta-pentylcyclohexyl]cyclohexyl]-1-propene
CID 58665457
1-butyl-4-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane
CID 58665471
1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane
CID 58665487
1-Methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane
CID 58665493

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane (CID 59882253) is 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane is CC1CCC(/C(F)=C(/F)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane?
The InChIKey is UCCFKLZFMHZWQW-PFONDFGASA-N. The full InChI is InChI=1S/C16H23F5/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(9-7-12)16(19,20)21/h10-13H,2-9H2,1H3/b15-14-.
What are the key properties of 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane?
1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane has a molecular weight of 310.35 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 59882253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).