1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone

C14H14FNOS — CID 116547328

IUPAC1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(N)c(F)c2)s1
InChIInChI=1S/C14H14FNOS/c1-2-10-4-5-11(18-10)8-14(17)9-3-6-13(16)12(15)7-9/h3-7H,2,8,16H2,1H3
InChIKeySPCDFQHBOXPCAL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone

1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 116547328) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID116547328
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(N)c(F)c2)s1
InChIInChI=1S/C14H14FNOS/c1-2-10-4-5-11(18-10)8-14(17)9-3-6-13(16)12(15)7-9/h3-7H,2,8,16H2,1H3
InChIKeySPCDFQHBOXPCAL-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116613118
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 114967820
1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 114967726
1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
CID 116547280
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
2-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 62622229
methyl 4-(4-amino-3-fluorophenyl)-4-oxobutanoate
CID 20536405
2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609415
2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
CID 55181131
1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 114967794
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967807
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone (CID 116547328) is 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)c2ccc(N)c(F)c2)s1.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is SPCDFQHBOXPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-2-10-4-5-11(18-10)8-14(17)9-3-6-13(16)12(15)7-9/h3-7H,2,8,16H2,1H3.
What are the key properties of 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 116547328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).