2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol

C14H12ClF2NO — CID 107528194

IUPAC2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1cc(F)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2NO/c15-12-6-5-11(17)7-13(12)18-8-14(19)9-1-3-10(16)4-2-9/h1-7,14,18-19H,8H2
InChIKeyGNHJNXKNHQFWAC-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol

2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 107528194) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
PubChem CID107528194
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1cc(F)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2NO/c15-12-6-5-11(17)7-13(12)18-8-14(19)9-1-3-10(16)4-2-9/h1-7,14,18-19H,8H2
InChIKeyGNHJNXKNHQFWAC-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

4-[2-(2-chloro-5-fluoroanilino)-1-hydroxyethyl]benzonitrile
CID 107528274
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104726864
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
CID 107528138
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol (CID 107528194) is 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol is OC(CNc1cc(F)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is GNHJNXKNHQFWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-12-6-5-11(17)7-13(12)18-8-14(19)9-1-3-10(16)4-2-9/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol?
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)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-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 107528194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).