2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene

C19H28F4 — CID 23399391

IUPAC2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene
SMILESCC1CCC(C2CCC(C3CC(F)C(F)C(F)C3)=C(F)C2)CC1
InChIInChI=1S/C19H28F4/c1-11-2-4-12(5-3-11)13-6-7-15(16(20)8-13)14-9-17(21)19(23)18(22)10-14/h11-14,17-19H,2-10H2,1H3
InChIKeyFHYMGLYQNOMZCP-UHFFFAOYSA-N
MW332.43 g/mol
LogP6.26
Rot. Bonds2

About 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene

2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene (PubChem CID 23399391) has the molecular formula C19H28F4 and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene
PubChem CID23399391
Molecular FormulaC19H28F4
Molecular Weight332.43 g/mol
Exact Mass332.21
IUPAC Name2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene
SMILESCC1CCC(C2CCC(C3CC(F)C(F)C(F)C3)=C(F)C2)CC1
InChIInChI=1S/C19H28F4/c1-11-2-4-12(5-3-11)13-6-7-15(16(20)8-13)14-9-17(21)19(23)18(22)10-14/h11-14,17-19H,2-10H2,1H3
InChIKeyFHYMGLYQNOMZCP-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene?
The IUPAC name of 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene (CID 23399391) is 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene.
What is the SMILES notation for 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene?
The canonical SMILES for 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene is CC1CCC(C2CCC(C3CC(F)C(F)C(F)C3)=C(F)C2)CC1.
What is the InChIKey of 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene?
The InChIKey is FHYMGLYQNOMZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F4/c1-11-2-4-12(5-3-11)13-6-7-15(16(20)8-13)14-9-17(21)19(23)18(22)10-14/h11-14,17-19H,2-10H2,1H3.
What are the key properties of 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene?
2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene has a molecular weight of 332.43 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylcyclohexyl)-1-(3,4,5-trifluorocyclohexyl)cyclohexene is sourced from PubChem (CID 23399391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).