5-fluoro-5-methylhexan-1-ol

C7H15FO — CID 10630533

IUPAC5-fluoro-5-methylhexan-1-ol
SMILESCC(C)(F)CCCCO
InChIInChI=1S/C7H15FO/c1-7(2,8)5-3-4-6-9/h9H,3-6H2,1-2H3
InChIKeyXLHBOQBARWJRAK-UHFFFAOYSA-N
MW134.19 g/mol
LogP1.90
Rot. Bonds4

About 5-fluoro-5-methylhexan-1-ol

5-fluoro-5-methylhexan-1-ol (PubChem CID 10630533) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 5-fluoro-5-methylhexan-1-ol.

Molecular Properties

Compound Name5-fluoro-5-methylhexan-1-ol
PubChem CID10630533
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name5-fluoro-5-methylhexan-1-ol
SMILESCC(C)(F)CCCCO
InChIInChI=1S/C7H15FO/c1-7(2,8)5-3-4-6-9/h9H,3-6H2,1-2H3
InChIKeyXLHBOQBARWJRAK-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methylhexan-1-ol?
The IUPAC name of 5-fluoro-5-methylhexan-1-ol (CID 10630533) is 5-fluoro-5-methylhexan-1-ol.
What is the SMILES notation for 5-fluoro-5-methylhexan-1-ol?
The canonical SMILES for 5-fluoro-5-methylhexan-1-ol is CC(C)(F)CCCCO.
What is the InChIKey of 5-fluoro-5-methylhexan-1-ol?
The InChIKey is XLHBOQBARWJRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-7(2,8)5-3-4-6-9/h9H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-5-methylhexan-1-ol?
5-fluoro-5-methylhexan-1-ol has a molecular weight of 134.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methylhexan-1-ol is sourced from PubChem (CID 10630533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).