(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride

C10H13ClF3NO — CID 66678514

IUPAC(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESC[C@](N)(CO)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13;/h2-5,15H,6,14H2,1H3;1H/t9-;/m0./s1
InChIKeyQPHODAWMHANFIU-FVGYRXGTSA-N
MW255.67 g/mol
LogP2.29
Rot. Bonds2

About (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride

(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 66678514) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID66678514
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESC[C@](N)(CO)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13;/h2-5,15H,6,14H2,1H3;1H/t9-;/m0./s1
InChIKeyQPHODAWMHANFIU-FVGYRXGTSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 174186051
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
CID 145487345
CID 145487345
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
CID 55276189
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 66678385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (CID 66678514) is (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is C[C@](N)(CO)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is QPHODAWMHANFIU-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13;/h2-5,15H,6,14H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 66678514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).