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

C10H13ClF3NO — CID 77177323

IUPAC2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCC(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
InChIKeyQPHODAWMHANFIU-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.29
Rot. Bonds2

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

2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 77177323) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID77177323
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCC(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
InChIKeyQPHODAWMHANFIU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (CID 77177323) is 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is CC(N)(CO)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is QPHODAWMHANFIU-UHFFFAOYSA-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.
What are the key properties of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
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 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 77177323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).