1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol

C14H11ClF3NO — CID 62809910

IUPAC1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
SMILESOC(CNc1cc(F)cc(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c15-9-3-1-8(2-4-9)13(20)7-19-12-6-10(16)5-11(17)14(12)18/h1-6,13,19-20H,7H2
InChIKeyITVKIVBEEAWCEN-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol

1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol (PubChem CID 62809910) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
PubChem CID62809910
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
SMILESOC(CNc1cc(F)cc(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c15-9-3-1-8(2-4-9)13(20)7-19-12-6-10(16)5-11(17)14(12)18/h1-6,13,19-20H,7H2
InChIKeyITVKIVBEEAWCEN-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
CID 110453023
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol (CID 62809910) is 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol is OC(CNc1cc(F)cc(F)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol?
The InChIKey is ITVKIVBEEAWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-9-3-1-8(2-4-9)13(20)7-19-12-6-10(16)5-11(17)14(12)18/h1-6,13,19-20H,7H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol?
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol has a molecular weight of 301.70 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol is sourced from PubChem (CID 62809910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).