(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol

C9H8F5NO — CID 171161694

IUPAC(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESN[C@@H](c1cccc(F)c1F)[C@H](O)C(F)(F)F
InChIInChI=1S/C9H8F5NO/c10-5-3-1-2-4(6(5)11)7(15)8(16)9(12,13)14/h1-3,7-8,16H,15H2/t7-,8-/m0/s1
InChIKeyBSHSFHQYGOQAFM-YUMQZZPRSA-N
MW241.16 g/mol
LogP1.89
Rot. Bonds2

About (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol

(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 171161694) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID171161694
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESN[C@@H](c1cccc(F)c1F)[C@H](O)C(F)(F)F
InChIInChI=1S/C9H8F5NO/c10-5-3-1-2-4(6(5)11)7(15)8(16)9(12,13)14/h1-3,7-8,16H,15H2/t7-,8-/m0/s1
InChIKeyBSHSFHQYGOQAFM-YUMQZZPRSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
CID 171267758
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]phenol;hydrochloride
CID 171161014
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
CID 171269053
(1R,2S)-1-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 171160252
(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 171263988
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
2-amino-1-(2,3-difluorophenyl)-2-phenylethanol
CID 63669574

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol (CID 171161694) is (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol is N[C@@H](c1cccc(F)c1F)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BSHSFHQYGOQAFM-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H8F5NO/c10-5-3-1-2-4(6(5)11)7(15)8(16)9(12,13)14/h1-3,7-8,16H,15H2/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol?
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 171161694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).