1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol

C14H12ClF2NO — CID 60897122

IUPAC1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
SMILESOC(CNc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF2NO/c15-10-3-1-9(2-4-10)14(19)8-18-13-7-11(16)5-6-12(13)17/h1-7,14,18-19H,8H2
InChIKeyXGUGRBAQJFLHCT-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol

1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol (PubChem CID 60897122) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
PubChem CID60897122
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
SMILESOC(CNc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF2NO/c15-10-3-1-9(2-4-10)14(19)8-18-13-7-11(16)5-6-12(13)17/h1-7,14,18-19H,8H2
InChIKeyXGUGRBAQJFLHCT-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
1-[3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-4-fluorophenyl]ethanone
CID 110453023
4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 107528274
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104726864
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol (CID 60897122) is 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol is OC(CNc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol?
The InChIKey is XGUGRBAQJFLHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-10-3-1-9(2-4-10)14(19)8-18-13-7-11(16)5-6-12(13)17/h1-7,14,18-19H,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol?
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol has a molecular weight of 283.71 g/mol, XLogP of 3.76, 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-(2,5-difluoroanilino)ethanol is sourced from PubChem (CID 60897122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).