(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride

C4H9ClF3NO — CID 24797122

IUPAC(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
SMILESC[C@H](N)[C@@H](O)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-2(8)3(9)4(5,6)7;/h2-3,9H,8H2,1H3;1H/t2-,3+;/m0./s1
InChIKeyVFMKPKXHRNKGGM-LJUKVTEVSA-N
MW179.57 g/mol
LogP0.68
Rot. Bonds1

About (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride

(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride (PubChem CID 24797122) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
PubChem CID24797122
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
SMILESC[C@H](N)[C@@H](O)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-2(8)3(9)4(5,6)7;/h2-3,9H,8H2,1H3;1H/t2-,3+;/m0./s1
InChIKeyVFMKPKXHRNKGGM-LJUKVTEVSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130988807
(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol
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3-amino-2-(trifluoromethyl)butanamide;hydrochloride
CID 174921174
3-amino-1,1-difluoro-1-phenylbutan-2-ol
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azane;1,1,1-trifluoropropan-2-ol
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2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)propan-2-ol;hydrochloride
CID 171161915
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
3-amino-1,1,1-trifluoroheptan-2-ol
CID 22121539
(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171262249

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
The IUPAC name of (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride (CID 24797122) is (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
The canonical SMILES for (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride is C[C@H](N)[C@@H](O)C(F)(F)F.Cl.
What is the InChIKey of (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
The InChIKey is VFMKPKXHRNKGGM-LJUKVTEVSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-2(8)3(9)4(5,6)7;/h2-3,9H,8H2,1H3;1H/t2-,3+;/m0./s1.
What are the key properties of (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride is sourced from PubChem (CID 24797122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).