(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol

C10H11F4NO — CID 131385611

IUPAC(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-5(16)9(15)7-3-2-6(11)4-8(7)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m1/s1
InChIKeyJKHFQTVJHDIZRX-MLUIRONXSA-N
MW237.20 g/mol
LogP2.23
Rot. Bonds2

About (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol

(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 131385611) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID131385611
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-5(16)9(15)7-3-2-6(11)4-8(7)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m1/s1
InChIKeyJKHFQTVJHDIZRX-MLUIRONXSA-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

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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
CID 131252530
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(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
2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 68716892
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol (CID 131385611) is (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol is C[C@@H](O)[C@@H](N)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is JKHFQTVJHDIZRX-MLUIRONXSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-5(16)9(15)7-3-2-6(11)4-8(7)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol?
(1S,2R)-1-amino-1-[4-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 (1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131385611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).