2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H13ClF3NO — CID 123373360

IUPAC2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESNC(c1ccc(C(F)(F)F)cc1)C(O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-12-3-1-2-10(8-12)14(21)13(20)9-4-6-11(7-5-9)15(17,18)19/h1-8,13-14,21H,20H2
InChIKeyRIWKLXWOVDBVDH-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.09
Rot. Bonds3

About 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 123373360) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID123373360
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESNC(c1ccc(C(F)(F)F)cc1)C(O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-12-3-1-2-10(8-12)14(21)13(20)9-4-6-11(7-5-9)15(17,18)19/h1-8,13-14,21H,20H2
InChIKeyRIWKLXWOVDBVDH-UHFFFAOYSA-N
XLogP4.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 123373360) is 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is NC(c1ccc(C(F)(F)F)cc1)C(O)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RIWKLXWOVDBVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-3-1-2-10(8-12)14(21)13(20)9-4-6-11(7-5-9)15(17,18)19/h1-8,13-14,21H,20H2.
What are the key properties of 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 315.72 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 123373360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).