2-(4-fluoroanilino)phenol

C12H10FNO — CID 82537401

IUPAC2-(4-fluoroanilino)phenol
SMILESOc1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10FNO/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15/h1-8,14-15H
InChIKeySNSHGDXCCJPPPO-UHFFFAOYSA-N
MW203.22 g/mol
LogP3.27
Rot. Bonds2

About 2-(4-fluoroanilino)phenol

2-(4-fluoroanilino)phenol (PubChem CID 82537401) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(4-fluoroanilino)phenol.

Molecular Properties

Compound Name2-(4-fluoroanilino)phenol
PubChem CID82537401
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name2-(4-fluoroanilino)phenol
SMILESOc1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10FNO/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15/h1-8,14-15H
InChIKeySNSHGDXCCJPPPO-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 53.27
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

2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
2-[4-(4-hydroxyanilino)anilino]phenol
CID 139796007
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
2-(2,5-difluoroanilino)phenol
CID 82537391
2-(4-fluoroanilino)naphthalene-1,4-diol
CID 132604540
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
CID 11675116
5-(2-hydroxyanilino)benzene-1,2,3-triol
CID 171920071
2-(4-nitroanilino)phenol
CID 14224817
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
3-(4-fluoroanilino)phthalic acid
CID 150630608
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)phenol?
The IUPAC name of 2-(4-fluoroanilino)phenol (CID 82537401) is 2-(4-fluoroanilino)phenol.
What is the SMILES notation for 2-(4-fluoroanilino)phenol?
The canonical SMILES for 2-(4-fluoroanilino)phenol is Oc1ccccc1Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)phenol?
The InChIKey is SNSHGDXCCJPPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15/h1-8,14-15H.
What are the key properties of 2-(4-fluoroanilino)phenol?
2-(4-fluoroanilino)phenol has a molecular weight of 203.22 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)phenol is sourced from PubChem (CID 82537401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).