5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

C7H11FO2 — CID 175812350

IUPAC5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1CC(F)C(O)C1CO
InChIInChI=1S/C7H11FO2/c1-4-2-6(8)7(10)5(4)3-9/h5-7,9-10H,1-3H2
InChIKeyUIBCMPODUJYQGV-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.25
Rot. Bonds1

About 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (PubChem CID 175812350) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
PubChem CID175812350
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1CC(F)C(O)C1CO
InChIInChI=1S/C7H11FO2/c1-4-2-6(8)7(10)5(4)3-9/h5-7,9-10H,1-3H2
InChIKeyUIBCMPODUJYQGV-UHFFFAOYSA-N
XLogP0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (CID 175812350) is 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is C=C1CC(F)C(O)C1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The InChIKey is UIBCMPODUJYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-4-2-6(8)7(10)5(4)3-9/h5-7,9-10H,1-3H2.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol has a molecular weight of 146.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 175812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).