2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane

C20H32F4O — CID 20810921

IUPAC2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(OC(F)(F)F)C(F)C3)CC2)CC1
InChIInChI=1S/C20H32F4O/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-19(18(21)12-17)25-20(22,23)24/h13-19H,2-12H2,1H3
InChIKeyOAXIUCXYYSWTFM-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.66
Rot. Bonds3

About 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane

2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane (PubChem CID 20810921) has the molecular formula C20H32F4O and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane
PubChem CID20810921
Molecular FormulaC20H32F4O
Molecular Weight364.47 g/mol
Exact Mass364.24
IUPAC Name2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane
SMILESCC1CCC(C2CCC(C3CCC(OC(F)(F)F)C(F)C3)CC2)CC1
InChIInChI=1S/C20H32F4O/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-19(18(21)12-17)25-20(22,23)24/h13-19H,2-12H2,1H3
InChIKeyOAXIUCXYYSWTFM-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane?
The IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane (CID 20810921) is 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane is CC1CCC(C2CCC(C3CCC(OC(F)(F)F)C(F)C3)CC2)CC1.
What is the InChIKey of 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane?
The InChIKey is OAXIUCXYYSWTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F4O/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-19(18(21)12-17)25-20(22,23)24/h13-19H,2-12H2,1H3.
What are the key properties of 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane?
2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane has a molecular weight of 364.47 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 20810921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).