(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol

C10H11F4NO — CID 131252530

IUPAC(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-5(16)9(15)7-4-6(11)2-3-8(7)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m0/s1
InChIKeySJSBOINIGRLGHH-CDUCUWFYSA-N
MW237.20 g/mol
LogP2.23
Rot. Bonds2

About (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol

(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 131252530) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID131252530
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-5(16)9(15)7-4-6(11)2-3-8(7)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m0/s1
InChIKeySJSBOINIGRLGHH-CDUCUWFYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-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

(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
(2S,3S)-3-amino-1,1,1-trifluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 171269524
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate
CID 171242699
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242700
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313161

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol (CID 131252530) is (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol is C[C@H](O)[C@H](N)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is SJSBOINIGRLGHH-CDUCUWFYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-5(16)9(15)7-4-6(11)2-3-8(7)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 237.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131252530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).