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

C10H12F3NO — CID 129373286

IUPAC(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-6(15)9(14)7-2-4-8(5-3-7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9-/m1/s1
InChIKeyRHMFFVGFZDRSPL-HZGVNTEJSA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds2

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

(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 129373286) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID129373286
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-6(15)9(14)7-2-4-8(5-3-7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9-/m1/s1
InChIKeyRHMFFVGFZDRSPL-HZGVNTEJSA-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

(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
ethyl (3S)-3-amino-2-fluoro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 171245908
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 129373286) is (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol is C[C@@H](O)[C@@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is RHMFFVGFZDRSPL-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(15)9(14)7-2-4-8(5-3-7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
(1S,2R)-1-amino-1-[4-(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,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 129373286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).