(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol

C5H10F3NO — CID 42632354

IUPAC(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
SMILESC[C@@H]([C@H](N)CO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(4(9)2-10)5(6,7)8/h3-4,10H,2,9H2,1H3/t3-,4+/m0/s1
InChIKeyVVYHCTJWRBIPNH-IUYQGCFVSA-N
MW157.13 g/mol
LogP0.50
Rot. Bonds2

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

(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol (PubChem CID 42632354) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
PubChem CID42632354
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
SMILESC[C@@H]([C@H](N)CO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(4(9)2-10)5(6,7)8/h3-4,10H,2,9H2,1H3/t3-,4+/m0/s1
InChIKeyVVYHCTJWRBIPNH-IUYQGCFVSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
The IUPAC name of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol (CID 42632354) is (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol.
What is the SMILES notation for (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
The canonical SMILES for (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol is C[C@@H]([C@H](N)CO)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
The InChIKey is VVYHCTJWRBIPNH-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-3(4(9)2-10)5(6,7)8/h3-4,10H,2,9H2,1H3/t3-,4+/m0/s1.
What are the key properties of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol is sourced from PubChem (CID 42632354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).