(2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol

C15H12Cl2F3NO — CID 54007111

IUPAC(2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol
SMILESOC(c1ccccc1Cl)c1cc(Cl)ccc1NCC(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO/c16-9-5-6-13(21-8-15(18,19)20)11(7-9)14(22)10-3-1-2-4-12(10)17/h1-7,14,21-22H,8H2
InChIKeyKPRCYHZQTIAEEM-UHFFFAOYSA-N
MW350.17 g/mol
LogP5.05
Rot. Bonds4

About (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol

(2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol (PubChem CID 54007111) has the molecular formula C15H12Cl2F3NO and a molecular weight of 350.17 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol
PubChem CID54007111
Molecular FormulaC15H12Cl2F3NO
Molecular Weight350.17 g/mol
Exact Mass349.02
IUPAC Name(2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol
SMILESOC(c1ccccc1Cl)c1cc(Cl)ccc1NCC(F)(F)F
InChIInChI=1S/C15H12Cl2F3NO/c16-9-5-6-13(21-8-15(18,19)20)11(7-9)14(22)10-3-1-2-4-12(10)17/h1-7,14,21-22H,8H2
InChIKeyKPRCYHZQTIAEEM-UHFFFAOYSA-N
XLogP5.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.17
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol?
The IUPAC name of (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol (CID 54007111) is (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol?
The canonical SMILES for (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol is OC(c1ccccc1Cl)c1cc(Cl)ccc1NCC(F)(F)F.
What is the InChIKey of (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol?
The InChIKey is KPRCYHZQTIAEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO/c16-9-5-6-13(21-8-15(18,19)20)11(7-9)14(22)10-3-1-2-4-12(10)17/h1-7,14,21-22H,8H2.
What are the key properties of (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol?
(2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol has a molecular weight of 350.17 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-chloro-2-(2,2,2-trifluoroethylamino)phenyl]methanol is sourced from PubChem (CID 54007111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).