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

C14H11ClF3NO — CID 60896928

IUPAC1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
SMILESOC(CNc1ccc(F)c(F)c1F)c1ccccc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-9-4-2-1-3-8(9)12(20)7-19-11-6-5-10(16)13(17)14(11)18/h1-6,12,19-20H,7H2
InChIKeyJUQGZHJDCKZTJK-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.90
Rot. Bonds4

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

1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol (PubChem CID 60896928) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
PubChem CID60896928
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
SMILESOC(CNc1ccc(F)c(F)c1F)c1ccccc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-9-4-2-1-3-8(9)12(20)7-19-11-6-5-10(16)13(17)14(11)18/h1-6,12,19-20H,7H2
InChIKeyJUQGZHJDCKZTJK-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_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
CID 60896352
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351591
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol (CID 60896928) is 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol is OC(CNc1ccc(F)c(F)c1F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol?
The InChIKey is JUQGZHJDCKZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-9-4-2-1-3-8(9)12(20)7-19-11-6-5-10(16)13(17)14(11)18/h1-6,12,19-20H,7H2.
What are the key properties of 1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol?
1-(2-chlorophenyl)-2-(2,3,4-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-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol is sourced from PubChem (CID 60896928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).