2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane

C20H36F2 — CID 71027248

IUPAC2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane
SMILESCCC(C)CCC(C)C1CCC(C2CCC(F)CC2)C(F)C1
InChIInChI=1S/C20H36F2/c1-4-14(2)5-6-15(3)17-9-12-19(20(22)13-17)16-7-10-18(21)11-8-16/h14-20H,4-13H2,1-3H3
InChIKeyMUXVHQRUFOXTOW-UHFFFAOYSA-N
MW314.50 g/mol
LogP6.73
Rot. Bonds6

About 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane

2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane (PubChem CID 71027248) has the molecular formula C20H36F2 and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane.

Molecular Properties

Compound Name2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane
PubChem CID71027248
Molecular FormulaC20H36F2
Molecular Weight314.50 g/mol
Exact Mass314.28
IUPAC Name2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane
SMILESCCC(C)CCC(C)C1CCC(C2CCC(F)CC2)C(F)C1
InChIInChI=1S/C20H36F2/c1-4-14(2)5-6-15(3)17-9-12-19(20(22)13-17)16-7-10-18(21)11-8-16/h14-20H,4-13H2,1-3H3
InChIKeyMUXVHQRUFOXTOW-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane?
The IUPAC name of 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane (CID 71027248) is 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane.
What is the SMILES notation for 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane?
The canonical SMILES for 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane is CCC(C)CCC(C)C1CCC(C2CCC(F)CC2)C(F)C1.
What is the InChIKey of 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane?
The InChIKey is MUXVHQRUFOXTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F2/c1-4-14(2)5-6-15(3)17-9-12-19(20(22)13-17)16-7-10-18(21)11-8-16/h14-20H,4-13H2,1-3H3.
What are the key properties of 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane?
2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane has a molecular weight of 314.50 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane is sourced from PubChem (CID 71027248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).