(2S)-4-amino-1-fluoro-3-methylbutan-2-ol

C5H12FNO — CID 143913259

IUPAC(2S)-4-amino-1-fluoro-3-methylbutan-2-ol
SMILESCC(CN)[C@H](O)CF
InChIInChI=1S/C5H12FNO/c1-4(3-7)5(8)2-6/h4-5,8H,2-3,7H2,1H3/t4?,5-/m1/s1
InChIKeyJZWPUNIDCISEHX-BRJRFNKRSA-N
MW121.15 g/mol
LogP-0.09
Rot. Bonds3

About (2S)-4-amino-1-fluoro-3-methylbutan-2-ol

(2S)-4-amino-1-fluoro-3-methylbutan-2-ol (PubChem CID 143913259) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is (2S)-4-amino-1-fluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-1-fluoro-3-methylbutan-2-ol
PubChem CID143913259
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name(2S)-4-amino-1-fluoro-3-methylbutan-2-ol
SMILESCC(CN)[C@H](O)CF
InChIInChI=1S/C5H12FNO/c1-4(3-7)5(8)2-6/h4-5,8H,2-3,7H2,1H3/t4?,5-/m1/s1
InChIKeyJZWPUNIDCISEHX-BRJRFNKRSA-N
XLogP-0.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1-fluoro-3-methylbutan-2-ol?
The IUPAC name of (2S)-4-amino-1-fluoro-3-methylbutan-2-ol (CID 143913259) is (2S)-4-amino-1-fluoro-3-methylbutan-2-ol.
What is the SMILES notation for (2S)-4-amino-1-fluoro-3-methylbutan-2-ol?
The canonical SMILES for (2S)-4-amino-1-fluoro-3-methylbutan-2-ol is CC(CN)[C@H](O)CF.
What is the InChIKey of (2S)-4-amino-1-fluoro-3-methylbutan-2-ol?
The InChIKey is JZWPUNIDCISEHX-BRJRFNKRSA-N. The full InChI is InChI=1S/C5H12FNO/c1-4(3-7)5(8)2-6/h4-5,8H,2-3,7H2,1H3/t4?,5-/m1/s1.
What are the key properties of (2S)-4-amino-1-fluoro-3-methylbutan-2-ol?
(2S)-4-amino-1-fluoro-3-methylbutan-2-ol has a molecular weight of 121.15 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1-fluoro-3-methylbutan-2-ol is sourced from PubChem (CID 143913259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).