2-fluoro-5-methylcyclohexan-1-ol

C7H13FO — CID 89088193

IUPAC2-fluoro-5-methylcyclohexan-1-ol
SMILESCC1CCC(F)C(O)C1
InChIInChI=1S/C7H13FO/c1-5-2-3-6(8)7(9)4-5/h5-7,9H,2-4H2,1H3
InChIKeyIVAQYKDBXLLSJG-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.51
Rot. Bonds

About 2-fluoro-5-methylcyclohexan-1-ol

2-fluoro-5-methylcyclohexan-1-ol (PubChem CID 89088193) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-fluoro-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-fluoro-5-methylcyclohexan-1-ol
PubChem CID89088193
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name2-fluoro-5-methylcyclohexan-1-ol
SMILESCC1CCC(F)C(O)C1
InChIInChI=1S/C7H13FO/c1-5-2-3-6(8)7(9)4-5/h5-7,9H,2-4H2,1H3
InChIKeyIVAQYKDBXLLSJG-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylcyclohexan-1-ol?
The IUPAC name of 2-fluoro-5-methylcyclohexan-1-ol (CID 89088193) is 2-fluoro-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-fluoro-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-fluoro-5-methylcyclohexan-1-ol is CC1CCC(F)C(O)C1.
What is the InChIKey of 2-fluoro-5-methylcyclohexan-1-ol?
The InChIKey is IVAQYKDBXLLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-5-2-3-6(8)7(9)4-5/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-fluoro-5-methylcyclohexan-1-ol?
2-fluoro-5-methylcyclohexan-1-ol has a molecular weight of 132.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylcyclohexan-1-ol is sourced from PubChem (CID 89088193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).