2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol

C15H13ClF3NO — CID 60898565

IUPAC2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNc1ccccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c16-12-3-1-2-4-13(12)20-9-14(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyKTQBDVZZKXWHAG-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60898565) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60898565
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNc1ccccc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c16-12-3-1-2-4-13(12)20-9-14(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,14,20-21H,9H2
InChIKeyKTQBDVZZKXWHAG-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
CID 63667106
1-(2-chloroanilino)-3-fluoropropan-2-ol
CID 130859302
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60898565) is 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CNc1ccccc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KTQBDVZZKXWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-3-1-2-4-13(12)20-9-14(21)10-5-7-11(8-6-10)15(17,18)19/h1-8,14,20-21H,9H2.
What are the key properties of 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 315.72 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60898565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).