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

C5H10F3NO — CID 58522343

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESC[C@H](N)[C@](C)(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(9)4(2,10)5(6,7)8/h3,10H,9H2,1-2H3/t3-,4-/m0/s1
InChIKeyCFJFWTAYJHNSDJ-IMJSIDKUSA-N
MW157.13 g/mol
LogP0.65
Rot. Bonds1

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

(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 58522343) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID58522343
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESC[C@H](N)[C@](C)(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(9)4(2,10)5(6,7)8/h3,10H,9H2,1-2H3/t3-,4-/m0/s1
InChIKeyCFJFWTAYJHNSDJ-IMJSIDKUSA-N
XLogP0.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol (CID 58522343) is (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol is C[C@H](N)[C@](C)(O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is CFJFWTAYJHNSDJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-3(9)4(2,10)5(6,7)8/h3,10H,9H2,1-2H3/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 58522343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).