1-fluoro-3-imino-4-methylpentan-2-ol

C6H12FNO — CID 89424581

IUPAC1-fluoro-3-imino-4-methylpentan-2-ol
SMILES[H]/N=C(\C(C)C)C(O)CF
InChIInChI=1S/C6H12FNO/c1-4(2)6(8)5(9)3-7/h4-5,8-9H,3H2,1-2H3/b8-6+
InChIKeyUHAZCOPTLYAAJK-SOFGYWHQSA-N
MW133.17 g/mol
LogP0.99
Rot. Bonds3

About 1-fluoro-3-imino-4-methylpentan-2-ol

1-fluoro-3-imino-4-methylpentan-2-ol (PubChem CID 89424581) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-fluoro-3-imino-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-imino-4-methylpentan-2-ol
PubChem CID89424581
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-fluoro-3-imino-4-methylpentan-2-ol
SMILES[H]/N=C(\C(C)C)C(O)CF
InChIInChI=1S/C6H12FNO/c1-4(2)6(8)5(9)3-7/h4-5,8-9H,3H2,1-2H3/b8-6+
InChIKeyUHAZCOPTLYAAJK-SOFGYWHQSA-N
XLogP0.99
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-imino-4-methylpentan-2-ol?
The IUPAC name of 1-fluoro-3-imino-4-methylpentan-2-ol (CID 89424581) is 1-fluoro-3-imino-4-methylpentan-2-ol.
What is the SMILES notation for 1-fluoro-3-imino-4-methylpentan-2-ol?
The canonical SMILES for 1-fluoro-3-imino-4-methylpentan-2-ol is [H]/N=C(\C(C)C)C(O)CF.
What is the InChIKey of 1-fluoro-3-imino-4-methylpentan-2-ol?
The InChIKey is UHAZCOPTLYAAJK-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4(2)6(8)5(9)3-7/h4-5,8-9H,3H2,1-2H3/b8-6+.
What are the key properties of 1-fluoro-3-imino-4-methylpentan-2-ol?
1-fluoro-3-imino-4-methylpentan-2-ol has a molecular weight of 133.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-imino-4-methylpentan-2-ol is sourced from PubChem (CID 89424581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).