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

C10H12F3NO — CID 131376163

IUPAC(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(15)9(14)7-4-2-3-5-8(7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9+/m0/s1
InChIKeyQFQLRAJBKGOONJ-IMTBSYHQSA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds2

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

(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 131376163) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID131376163
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-6(15)9(14)7-4-2-3-5-8(7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9+/m0/s1
InChIKeyQFQLRAJBKGOONJ-IMTBSYHQSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(1R,2S)-1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171160420
(1R,2S)-1-amino-4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171160416
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol (CID 131376163) is (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol is C[C@H](O)[C@@H](N)c1ccccc1C(F)(F)F.
What is the InChIKey of (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is QFQLRAJBKGOONJ-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(15)9(14)7-4-2-3-5-8(7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol?
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 131376163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).