1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone

C14H12FNO2 — CID 116547280

IUPAC1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
SMILESNc1ccc(C(=O)Cc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H12FNO2/c15-12-8-10(3-6-13(12)16)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,17H,7,16H2
InChIKeyAGGARAUKAJERBE-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.54
Rot. Bonds3

About 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone

1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 116547280) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
PubChem CID116547280
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
SMILESNc1ccc(C(=O)Cc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H12FNO2/c15-12-8-10(3-6-13(12)16)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,17H,7,16H2
InChIKeyAGGARAUKAJERBE-UHFFFAOYSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116547328
1-(4-amino-3-fluorophenyl)but-3-en-1-one
CID 116547167
methyl 4-(4-amino-3-fluorophenyl)-4-oxobutanoate
CID 20536405
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624
1-(4-amino-3-fluorophenyl)hex-5-en-1-one
CID 116547272
1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
CID 141057255
1-(3,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 46881771
1-(4-amino-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 116547249
1-(4-amino-3-fluorophenyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103213046
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone (CID 116547280) is 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone is Nc1ccc(C(=O)Cc2ccc(O)cc2)cc1F.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is AGGARAUKAJERBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-8-10(3-6-13(12)16)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,17H,7,16H2.
What are the key properties of 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone?
1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 245.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 116547280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).