1-amino-3-fluoro-3-methylbutan-1-ol

C5H12FNO — CID 154059265

IUPAC1-amino-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)CC(N)O
InChIInChI=1S/C5H12FNO/c1-5(2,6)3-4(7)8/h4,8H,3,7H2,1-2H3
InChIKeyJDWLHQBIQHBVHC-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.40
Rot. Bonds2

About 1-amino-3-fluoro-3-methylbutan-1-ol

1-amino-3-fluoro-3-methylbutan-1-ol (PubChem CID 154059265) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 1-amino-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-amino-3-fluoro-3-methylbutan-1-ol
PubChem CID154059265
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name1-amino-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)CC(N)O
InChIInChI=1S/C5H12FNO/c1-5(2,6)3-4(7)8/h4,8H,3,7H2,1-2H3
InChIKeyJDWLHQBIQHBVHC-UHFFFAOYSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 1-amino-3-fluoro-3-methylbutan-1-ol (CID 154059265) is 1-amino-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 1-amino-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 1-amino-3-fluoro-3-methylbutan-1-ol is CC(C)(F)CC(N)O.
What is the InChIKey of 1-amino-3-fluoro-3-methylbutan-1-ol?
The InChIKey is JDWLHQBIQHBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-5(2,6)3-4(7)8/h4,8H,3,7H2,1-2H3.
What are the key properties of 1-amino-3-fluoro-3-methylbutan-1-ol?
1-amino-3-fluoro-3-methylbutan-1-ol has a molecular weight of 121.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 154059265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).