1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol

C15H14F3NO2 — CID 61074852

IUPAC1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
SMILESOC(CNc1cccc(F)c1F)COc1ccc(F)cc1
InChIInChI=1S/C15H14F3NO2/c16-10-4-6-12(7-5-10)21-9-11(20)8-19-14-3-1-2-13(17)15(14)18/h1-7,11,19-20H,8-9H2
InChIKeyFZUMAWUJMYNJBW-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol

1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 61074852) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
PubChem CID61074852
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
SMILESOC(CNc1cccc(F)c1F)COc1ccc(F)cc1
InChIInChI=1S/C15H14F3NO2/c16-10-4-6-12(7-5-10)21-9-11(20)8-19-14-3-1-2-13(17)15(14)18/h1-7,11,19-20H,8-9H2
InChIKeyFZUMAWUJMYNJBW-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 107633833
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
CID 60898264
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
2-fluoro-6-[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]amino]benzonitrile
CID 47485502
1-(3-bromo-4-fluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 104777587
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol (CID 61074852) is 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol is OC(CNc1cccc(F)c1F)COc1ccc(F)cc1.
What is the InChIKey of 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is FZUMAWUJMYNJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-10-4-6-12(7-5-10)21-9-11(20)8-19-14-3-1-2-13(17)15(14)18/h1-7,11,19-20H,8-9H2.
What are the key properties of 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol?
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 297.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 61074852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).