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

C10H13ClF3NO — CID 66678332

IUPAC(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO.ClH/c11-10(12,13)8-4-2-1-3-7(8)9(14)5-6-15;/h1-4,9,15H,5-6,14H2;1H/t9-;/m0./s1
InChIKeyPCOQNAUGYMMXSU-FVGYRXGTSA-N
MW255.67 g/mol
LogP2.51
Rot. Bonds3

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

(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 66678332) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID66678332
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO.ClH/c11-10(12,13)8-4-2-1-3-7(8)9(14)5-6-15;/h1-4,9,15H,5-6,14H2;1H/t9-;/m0./s1
InChIKeyPCOQNAUGYMMXSU-FVGYRXGTSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (CID 66678332) is (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1ccccc1C(F)(F)F.
What is the InChIKey of (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is PCOQNAUGYMMXSU-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c11-10(12,13)8-4-2-1-3-7(8)9(14)5-6-15;/h1-4,9,15H,5-6,14H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 66678332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).