4-fluoro-2-methylidenecyclohexan-1-ol

C7H11FO — CID 90955637

IUPAC4-fluoro-2-methylidenecyclohexan-1-ol
SMILESC=C1CC(F)CCC1O
InChIInChI=1S/C7H11FO/c1-5-4-6(8)2-3-7(5)9/h6-7,9H,1-4H2
InChIKeyRWQQAWWBRJXBSZ-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.43
Rot. Bonds

About 4-fluoro-2-methylidenecyclohexan-1-ol

4-fluoro-2-methylidenecyclohexan-1-ol (PubChem CID 90955637) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 4-fluoro-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name4-fluoro-2-methylidenecyclohexan-1-ol
PubChem CID90955637
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name4-fluoro-2-methylidenecyclohexan-1-ol
SMILESC=C1CC(F)CCC1O
InChIInChI=1S/C7H11FO/c1-5-4-6(8)2-3-7(5)9/h6-7,9H,1-4H2
InChIKeyRWQQAWWBRJXBSZ-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylidenecyclohexan-1-ol?
The IUPAC name of 4-fluoro-2-methylidenecyclohexan-1-ol (CID 90955637) is 4-fluoro-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for 4-fluoro-2-methylidenecyclohexan-1-ol?
The canonical SMILES for 4-fluoro-2-methylidenecyclohexan-1-ol is C=C1CC(F)CCC1O.
What is the InChIKey of 4-fluoro-2-methylidenecyclohexan-1-ol?
The InChIKey is RWQQAWWBRJXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-5-4-6(8)2-3-7(5)9/h6-7,9H,1-4H2.
What are the key properties of 4-fluoro-2-methylidenecyclohexan-1-ol?
4-fluoro-2-methylidenecyclohexan-1-ol has a molecular weight of 130.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 90955637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).