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

C14H12F3NO — CID 60901832

IUPAC2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccc(F)cc1F)c1ccccc1F
InChIInChI=1S/C14H12F3NO/c15-9-5-6-13(12(17)7-9)18-8-14(19)10-3-1-2-4-11(10)16/h1-7,14,18-19H,8H2
InChIKeyCUYXNAYVMVDHOQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.25
Rot. Bonds4

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

2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 60901832) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
PubChem CID60901832
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccc(F)cc1F)c1ccccc1F
InChIInChI=1S/C14H12F3NO/c15-9-5-6-13(12(17)7-9)18-8-14(19)10-3-1-2-4-11(10)16/h1-7,14,18-19H,8H2
InChIKeyCUYXNAYVMVDHOQ-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

2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
3-fluoro-4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 79770420
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 78916070
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60901932
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol (CID 60901832) is 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol is OC(CNc1ccc(F)cc1F)c1ccccc1F.
What is the InChIKey of 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is CUYXNAYVMVDHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-9-5-6-13(12(17)7-9)18-8-14(19)10-3-1-2-4-11(10)16/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol?
2-(2,4-difluoroanilino)-1-(2-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-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60901832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).