2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol

C14H12ClF2NO — CID 60898138

IUPAC2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-10-2-4-11(5-3-10)18-8-14(19)9-1-6-12(16)13(17)7-9/h1-7,14,18-19H,8H2
InChIKeyRWWDOJLJBJFQQZ-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol

2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 60898138) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
PubChem CID60898138
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c15-10-2-4-11(5-3-10)18-8-14(19)9-1-6-12(16)13(17)7-9/h1-7,14,18-19H,8H2
InChIKeyRWWDOJLJBJFQQZ-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

2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
CID 60897262
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
CID 133108525
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60901009
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol (CID 60898138) is 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol is OC(CNc1ccc(Cl)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is RWWDOJLJBJFQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-10-2-4-11(5-3-10)18-8-14(19)9-1-6-12(16)13(17)7-9/h1-7,14,18-19H,8H2.
What are the key properties of 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol?
2-(4-chloroanilino)-1-(3,4-difluorophenyl)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 2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 60898138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).