2-(2,5-difluoroanilino)phenol

C12H9F2NO — CID 82537391

IUPAC2-(2,5-difluoroanilino)phenol
SMILESOc1ccccc1Nc1cc(F)ccc1F
InChIInChI=1S/C12H9F2NO/c13-8-5-6-9(14)11(7-8)15-10-3-1-2-4-12(10)16/h1-7,15-16H
InChIKeyDFYUZPOQBFHLAW-UHFFFAOYSA-N
MW221.21 g/mol
LogP3.41
Rot. Bonds2

About 2-(2,5-difluoroanilino)phenol

2-(2,5-difluoroanilino)phenol (PubChem CID 82537391) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2,5-difluoroanilino)phenol.

Molecular Properties

Compound Name2-(2,5-difluoroanilino)phenol
PubChem CID82537391
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2,5-difluoroanilino)phenol
SMILESOc1ccccc1Nc1cc(F)ccc1F
InChIInChI=1S/C12H9F2NO/c13-8-5-6-9(14)11(7-8)15-10-3-1-2-4-12(10)16/h1-7,15-16H
InChIKeyDFYUZPOQBFHLAW-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991
2-(4-fluoroanilino)phenol
CID 82537401
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
5-(2-hydroxyanilino)benzene-1,2,3-triol
CID 171920071
N-(2,5-difluorophenyl)quinolin-2-amine
CID 82536785
N'-[amino(2-hydroxyethyl)amino]-2-(2,5-difluoroanilino)benzenecarboximidamide
CID 142468164

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoroanilino)phenol?
The IUPAC name of 2-(2,5-difluoroanilino)phenol (CID 82537391) is 2-(2,5-difluoroanilino)phenol.
What is the SMILES notation for 2-(2,5-difluoroanilino)phenol?
The canonical SMILES for 2-(2,5-difluoroanilino)phenol is Oc1ccccc1Nc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluoroanilino)phenol?
The InChIKey is DFYUZPOQBFHLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-8-5-6-9(14)11(7-8)15-10-3-1-2-4-12(10)16/h1-7,15-16H.
What are the key properties of 2-(2,5-difluoroanilino)phenol?
2-(2,5-difluoroanilino)phenol has a molecular weight of 221.21 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoroanilino)phenol is sourced from PubChem (CID 82537391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).