2-fluoro-5-methoxypentan-1-ol

C6H13FO2 — CID 139609445

IUPAC2-fluoro-5-methoxypentan-1-ol
SMILESCOCCCC(F)CO
InChIInChI=1S/C6H13FO2/c1-9-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3
InChIKeyBKDAIVDJDUUTNP-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.74
Rot. Bonds5

About 2-fluoro-5-methoxypentan-1-ol

2-fluoro-5-methoxypentan-1-ol (PubChem CID 139609445) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-fluoro-5-methoxypentan-1-ol.

Molecular Properties

Compound Name2-fluoro-5-methoxypentan-1-ol
PubChem CID139609445
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name2-fluoro-5-methoxypentan-1-ol
SMILESCOCCCC(F)CO
InChIInChI=1S/C6H13FO2/c1-9-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3
InChIKeyBKDAIVDJDUUTNP-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-fluoro-5-methoxypentan-1-ol?
The IUPAC name of 2-fluoro-5-methoxypentan-1-ol (CID 139609445) is 2-fluoro-5-methoxypentan-1-ol.
What is the SMILES notation for 2-fluoro-5-methoxypentan-1-ol?
The canonical SMILES for 2-fluoro-5-methoxypentan-1-ol is COCCCC(F)CO.
What is the InChIKey of 2-fluoro-5-methoxypentan-1-ol?
The InChIKey is BKDAIVDJDUUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2/c1-9-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-methoxypentan-1-ol?
2-fluoro-5-methoxypentan-1-ol has a molecular weight of 136.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxypentan-1-ol is sourced from PubChem (CID 139609445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).