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

C5H12FNO — CID 15533682

IUPAC2-amino-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(N)CO
InChIInChI=1S/C5H12FNO/c1-5(2,6)4(7)3-8/h4,8H,3,7H2,1-2H3
InChIKeyXQVHZUCZNUYXGD-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.05
Rot. Bonds2

About 2-amino-3-fluoro-3-methylbutan-1-ol

2-amino-3-fluoro-3-methylbutan-1-ol (PubChem CID 15533682) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 2-amino-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-3-fluoro-3-methylbutan-1-ol
PubChem CID15533682
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name2-amino-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(N)CO
InChIInChI=1S/C5H12FNO/c1-5(2,6)4(7)3-8/h4,8H,3,7H2,1-2H3
InChIKeyXQVHZUCZNUYXGD-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 2-amino-3-fluoro-3-methylbutan-1-ol (CID 15533682) is 2-amino-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-3-fluoro-3-methylbutan-1-ol is CC(C)(F)C(N)CO.
What is the InChIKey of 2-amino-3-fluoro-3-methylbutan-1-ol?
The InChIKey is XQVHZUCZNUYXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-5(2,6)4(7)3-8/h4,8H,3,7H2,1-2H3.
What are the key properties of 2-amino-3-fluoro-3-methylbutan-1-ol?
2-amino-3-fluoro-3-methylbutan-1-ol has a molecular weight of 121.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 15533682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).