(2S)-3-fluoro-3-methylbutan-2-amine

C5H12FN — CID 83814959

IUPAC(2S)-3-fluoro-3-methylbutan-2-amine
SMILESC[C@H](N)C(C)(C)F
InChIInChI=1S/C5H12FN/c1-4(7)5(2,3)6/h4H,7H2,1-3H3/t4-/m0/s1
InChIKeyOXVLZOYJHJXSBM-BYPYZUCNSA-N
MW105.16 g/mol
LogP1.08
Rot. Bonds1

About (2S)-3-fluoro-3-methylbutan-2-amine

(2S)-3-fluoro-3-methylbutan-2-amine (PubChem CID 83814959) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is (2S)-3-fluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3-fluoro-3-methylbutan-2-amine
PubChem CID83814959
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name(2S)-3-fluoro-3-methylbutan-2-amine
SMILESC[C@H](N)C(C)(C)F
InChIInChI=1S/C5H12FN/c1-4(7)5(2,3)6/h4H,7H2,1-3H3/t4-/m0/s1
InChIKeyOXVLZOYJHJXSBM-BYPYZUCNSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-3-methylbutan-2-amine?
The IUPAC name of (2S)-3-fluoro-3-methylbutan-2-amine (CID 83814959) is (2S)-3-fluoro-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-3-fluoro-3-methylbutan-2-amine?
The canonical SMILES for (2S)-3-fluoro-3-methylbutan-2-amine is C[C@H](N)C(C)(C)F.
What is the InChIKey of (2S)-3-fluoro-3-methylbutan-2-amine?
The InChIKey is OXVLZOYJHJXSBM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12FN/c1-4(7)5(2,3)6/h4H,7H2,1-3H3/t4-/m0/s1.
What are the key properties of (2S)-3-fluoro-3-methylbutan-2-amine?
(2S)-3-fluoro-3-methylbutan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-3-methylbutan-2-amine is sourced from PubChem (CID 83814959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).