5-fluoro-3-methylpent-1-en-1-ol

C6H11FO — CID 174413400

IUPAC5-fluoro-3-methylpent-1-en-1-ol
SMILESCC(C=CO)CCF
InChIInChI=1S/C6H11FO/c1-6(2-4-7)3-5-8/h3,5-6,8H,2,4H2,1H3
InChIKeyRPQKLPXOSSBEJR-UHFFFAOYSA-N
MW118.15 g/mol
LogP2.05
Rot. Bonds3

About 5-fluoro-3-methylpent-1-en-1-ol

5-fluoro-3-methylpent-1-en-1-ol (PubChem CID 174413400) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 5-fluoro-3-methylpent-1-en-1-ol.

Molecular Properties

Compound Name5-fluoro-3-methylpent-1-en-1-ol
PubChem CID174413400
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name5-fluoro-3-methylpent-1-en-1-ol
SMILESCC(C=CO)CCF
InChIInChI=1S/C6H11FO/c1-6(2-4-7)3-5-8/h3,5-6,8H,2,4H2,1H3
InChIKeyRPQKLPXOSSBEJR-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylpent-1-en-1-ol?
The IUPAC name of 5-fluoro-3-methylpent-1-en-1-ol (CID 174413400) is 5-fluoro-3-methylpent-1-en-1-ol.
What is the SMILES notation for 5-fluoro-3-methylpent-1-en-1-ol?
The canonical SMILES for 5-fluoro-3-methylpent-1-en-1-ol is CC(C=CO)CCF.
What is the InChIKey of 5-fluoro-3-methylpent-1-en-1-ol?
The InChIKey is RPQKLPXOSSBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-6(2-4-7)3-5-8/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 5-fluoro-3-methylpent-1-en-1-ol?
5-fluoro-3-methylpent-1-en-1-ol has a molecular weight of 118.15 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylpent-1-en-1-ol is sourced from PubChem (CID 174413400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).