2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol

C14H12F3NO — CID 61076629

IUPAC2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1cccc(F)c1F)c1ccc(F)cc1
InChIInChI=1S/C14H12F3NO/c15-10-6-4-9(5-7-10)13(19)8-18-12-3-1-2-11(16)14(12)17/h1-7,13,18-19H,8H2
InChIKeyOCDKKJYVYNSHAV-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.25
Rot. Bonds4

About 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol

2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 61076629) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
PubChem CID61076629
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1cccc(F)c1F)c1ccc(F)cc1
InChIInChI=1S/C14H12F3NO/c15-10-6-4-9(5-7-10)13(19)8-18-12-3-1-2-11(16)14(12)17/h1-7,13,18-19H,8H2
InChIKeyOCDKKJYVYNSHAV-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(naphthalen-1-ylamino)ethanol
CID 60720496
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
1-[2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-fluorophenyl]ethanone
CID 52566383
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol (CID 61076629) is 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol is OC(CNc1cccc(F)c1F)c1ccc(F)cc1.
What is the InChIKey of 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is OCDKKJYVYNSHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-6-4-9(5-7-10)13(19)8-18-12-3-1-2-11(16)14(12)17/h1-7,13,18-19H,8H2.
What are the key properties of 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol?
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 267.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 61076629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).