(5-fluorocyclohex-2-en-1-yl)methanol

C7H11FO — CID 89419644

IUPAC(5-fluorocyclohex-2-en-1-yl)methanol
SMILESOCC1C=CCC(F)C1
InChIInChI=1S/C7H11FO/c8-7-3-1-2-6(4-7)5-9/h1-2,6-7,9H,3-5H2
InChIKeyXMFVQXNTWLZMKQ-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.28
Rot. Bonds1

About (5-fluorocyclohex-2-en-1-yl)methanol

(5-fluorocyclohex-2-en-1-yl)methanol (PubChem CID 89419644) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (5-fluorocyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Name(5-fluorocyclohex-2-en-1-yl)methanol
PubChem CID89419644
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(5-fluorocyclohex-2-en-1-yl)methanol
SMILESOCC1C=CCC(F)C1
InChIInChI=1S/C7H11FO/c8-7-3-1-2-6(4-7)5-9/h1-2,6-7,9H,3-5H2
InChIKeyXMFVQXNTWLZMKQ-UHFFFAOYSA-N
XLogP1.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.28
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 (5-fluorocyclohex-2-en-1-yl)methanol?
The IUPAC name of (5-fluorocyclohex-2-en-1-yl)methanol (CID 89419644) is (5-fluorocyclohex-2-en-1-yl)methanol.
What is the SMILES notation for (5-fluorocyclohex-2-en-1-yl)methanol?
The canonical SMILES for (5-fluorocyclohex-2-en-1-yl)methanol is OCC1C=CCC(F)C1.
What is the InChIKey of (5-fluorocyclohex-2-en-1-yl)methanol?
The InChIKey is XMFVQXNTWLZMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c8-7-3-1-2-6(4-7)5-9/h1-2,6-7,9H,3-5H2.
What are the key properties of (5-fluorocyclohex-2-en-1-yl)methanol?
(5-fluorocyclohex-2-en-1-yl)methanol has a molecular weight of 130.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorocyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 89419644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).