2-fluoro-3-methylidenecyclopentan-1-ol

C6H9FO — CID 174928836

IUPAC2-fluoro-3-methylidenecyclopentan-1-ol
SMILESC=C1CCC(O)C1F
InChIInChI=1S/C6H9FO/c1-4-2-3-5(8)6(4)7/h5-6,8H,1-3H2
InChIKeyGPQFFKMBSCKAIA-UHFFFAOYSA-N
MW116.14 g/mol
LogP1.04
Rot. Bonds

About 2-fluoro-3-methylidenecyclopentan-1-ol

2-fluoro-3-methylidenecyclopentan-1-ol (PubChem CID 174928836) has the molecular formula C6H9FO and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-fluoro-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-methylidenecyclopentan-1-ol
PubChem CID174928836
Molecular FormulaC6H9FO
Molecular Weight116.14 g/mol
Exact Mass116.06
IUPAC Name2-fluoro-3-methylidenecyclopentan-1-ol
SMILESC=C1CCC(O)C1F
InChIInChI=1S/C6H9FO/c1-4-2-3-5(8)6(4)7/h5-6,8H,1-3H2
InChIKeyGPQFFKMBSCKAIA-UHFFFAOYSA-N
XLogP1.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.04
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 2-fluoro-3-methylidenecyclopentan-1-ol?
The IUPAC name of 2-fluoro-3-methylidenecyclopentan-1-ol (CID 174928836) is 2-fluoro-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for 2-fluoro-3-methylidenecyclopentan-1-ol?
The canonical SMILES for 2-fluoro-3-methylidenecyclopentan-1-ol is C=C1CCC(O)C1F.
What is the InChIKey of 2-fluoro-3-methylidenecyclopentan-1-ol?
The InChIKey is GPQFFKMBSCKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-4-2-3-5(8)6(4)7/h5-6,8H,1-3H2.
What are the key properties of 2-fluoro-3-methylidenecyclopentan-1-ol?
2-fluoro-3-methylidenecyclopentan-1-ol has a molecular weight of 116.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 174928836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).