(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol

C10H12F3NO — CID 28820182

IUPAC(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6,14H2/t8-,9-/m1/s1
InChIKeyOCZXOWATVOYDFC-RKDXNWHRSA-N
MW219.21 g/mol
LogP1.48
Rot. Bonds3

About (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol

(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol (PubChem CID 28820182) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
PubChem CID28820182
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6,14H2/t8-,9-/m1/s1
InChIKeyOCZXOWATVOYDFC-RKDXNWHRSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4,5,5,6,6,6-heptafluoro-1-phenylhexan-3-ol
CID 22284216
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide
CID 10805210
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol (CID 28820182) is (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol is N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
The InChIKey is OCZXOWATVOYDFC-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6,14H2/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol?
(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol is sourced from PubChem (CID 28820182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).