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

C10H13ClF3NO — CID 171160389

IUPAC(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-6(15)9(14)7-2-4-8(5-3-7)10(11,12)13;/h2-6,9,15H,14H2,1H3;1H/t6-,9-;/m0./s1
InChIKeyBDPQWMLVAXPIDR-YDYUUSCQSA-N
MW255.67 g/mol
LogP2.51
Rot. Bonds2

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

(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (PubChem CID 171160389) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
PubChem CID171160389
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C10H12F3NO.ClH/c1-6(15)9(14)7-2-4-8(5-3-7)10(11,12)13;/h2-6,9,15H,14H2,1H3;1H/t6-,9-;/m0./s1
InChIKeyBDPQWMLVAXPIDR-YDYUUSCQSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
(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,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
(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
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (CID 171160389) is (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is C[C@H](O)[C@H](N)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The InChIKey is BDPQWMLVAXPIDR-YDYUUSCQSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c1-6(15)9(14)7-2-4-8(5-3-7)10(11,12)13;/h2-6,9,15H,14H2,1H3;1H/t6-,9-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.51, 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-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171160389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).