2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride

C10H12Cl2F3NO — CID 170892844

IUPAC2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO.ClH/c11-7-1-2-9(10(12,13)14)6(3-7)4-8(15)5-16;/h1-3,8,16H,4-5,15H2;1H
InChIKeyPZOFKGITBWZUEE-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride

2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170892844) has the molecular formula C10H12Cl2F3NO and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170892844
Molecular FormulaC10H12Cl2F3NO
Molecular Weight290.11 g/mol
Exact Mass289.02
IUPAC Name2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO.ClH/c11-7-1-2-9(10(12,13)14)6(3-7)4-8(15)5-16;/h1-3,8,16H,4-5,15H2;1H
InChIKeyPZOFKGITBWZUEE-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (CID 170892844) is 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is PZOFKGITBWZUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO.ClH/c11-7-1-2-9(10(12,13)14)6(3-7)4-8(15)5-16;/h1-3,8,16H,4-5,15H2;1H.
What are the key properties of 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 290.11 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).