3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol

C13H23FO — CID 70887654

IUPAC3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
SMILESCC1CCC(C2CCC(O)CC2F)CC1
InChIInChI=1S/C13H23FO/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14/h9-13,15H,2-8H2,1H3
InChIKeyHIPWFIVVCXGDAN-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.31
Rot. Bonds1

About 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol

3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol (PubChem CID 70887654) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
PubChem CID70887654
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
SMILESCC1CCC(C2CCC(O)CC2F)CC1
InChIInChI=1S/C13H23FO/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14/h9-13,15H,2-8H2,1H3
InChIKeyHIPWFIVVCXGDAN-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol (CID 70887654) is 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol is CC1CCC(C2CCC(O)CC2F)CC1.
What is the InChIKey of 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol?
The InChIKey is HIPWFIVVCXGDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14/h9-13,15H,2-8H2,1H3.
What are the key properties of 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol?
3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol has a molecular weight of 214.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 70887654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).