6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol

C7H11FO2 — CID 118312724

IUPAC6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOCC1C=CC(O)C(F)C1
InChIInChI=1S/C7H11FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-2,5-7,9-10H,3-4H2
InChIKeyZWRNYZRDOLJPOY-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.25
Rot. Bonds1

About 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol

6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol (PubChem CID 118312724) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol
PubChem CID118312724
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOCC1C=CC(O)C(F)C1
InChIInChI=1S/C7H11FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-2,5-7,9-10H,3-4H2
InChIKeyZWRNYZRDOLJPOY-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 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol (CID 118312724) is 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol is OCC1C=CC(O)C(F)C1.
What is the InChIKey of 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol?
The InChIKey is ZWRNYZRDOLJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-2,5-7,9-10H,3-4H2.
What are the key properties of 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol?
6-fluoro-4-(hydroxymethyl)cyclohex-2-en-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 6-fluoro-4-(hydroxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 118312724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).