2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol

C14H12F3NO — CID 60901279

IUPAC2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1cc(F)cc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-3-1-2-9(4-10)14(19)8-18-13-6-11(16)5-12(17)7-13/h1-7,14,18-19H,8H2
InChIKeyJUTQWZYTFVCSBW-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.25
Rot. Bonds4

About 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol

2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 60901279) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
PubChem CID60901279
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1cc(F)cc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-3-1-2-9(4-10)14(19)8-18-13-6-11(16)5-12(17)7-13/h1-7,14,18-19H,8H2
InChIKeyJUTQWZYTFVCSBW-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-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)ethanol
CID 60901511
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol (CID 60901279) is 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol is OC(CNc1cc(F)cc(F)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is JUTQWZYTFVCSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-3-1-2-9(4-10)14(19)8-18-13-6-11(16)5-12(17)7-13/h1-7,14,18-19H,8H2.
What are the key properties of 2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol?
2-(3,5-difluoroanilino)-1-(3-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-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60901279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).