1-[3-(ethylamino)-5-fluorophenyl]ethanone

C10H12FNO — CID 82535672

IUPAC1-[3-(ethylamino)-5-fluorophenyl]ethanone
SMILESCCNc1cc(F)cc(C(C)=O)c1
InChIInChI=1S/C10H12FNO/c1-3-12-10-5-8(7(2)13)4-9(11)6-10/h4-6,12H,3H2,1-2H3
InChIKeyFDXIPDIMCRNQQA-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.46
Rot. Bonds3

About 1-[3-(ethylamino)-5-fluorophenyl]ethanone

1-[3-(ethylamino)-5-fluorophenyl]ethanone (PubChem CID 82535672) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-[3-(ethylamino)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(ethylamino)-5-fluorophenyl]ethanone
PubChem CID82535672
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-[3-(ethylamino)-5-fluorophenyl]ethanone
SMILESCCNc1cc(F)cc(C(C)=O)c1
InChIInChI=1S/C10H12FNO/c1-3-12-10-5-8(7(2)13)4-9(11)6-10/h4-6,12H,3H2,1-2H3
InChIKeyFDXIPDIMCRNQQA-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-acetyl-5-fluoroanilino)butanoic acid
CID 82535608
1-[3-chloro-5-(ethylamino)phenyl]ethanone
CID 82535671
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
CID 142455262
1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 91437039
3-fluoro-5-(2-hydroxypropylamino)benzoic acid
CID 82539772
1-(3-butan-2-yl-5-fluorophenyl)ethanone
CID 143473995
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
3-acetamido-5-fluoro-N-hydroxybenzamide
CID 87663336
1-[3-(dimethylamino)-5-fluorophenyl]ethanone
CID 82535454
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
methyl 3-(ethylamino)-5-methylbenzoate
CID 58789800
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(ethylamino)-5-fluorophenyl]ethanone (CID 82535672) is 1-[3-(ethylamino)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(ethylamino)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(ethylamino)-5-fluorophenyl]ethanone is CCNc1cc(F)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-(ethylamino)-5-fluorophenyl]ethanone?
The InChIKey is FDXIPDIMCRNQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-12-10-5-8(7(2)13)4-9(11)6-10/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-5-fluorophenyl]ethanone?
1-[3-(ethylamino)-5-fluorophenyl]ethanone has a molecular weight of 181.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-5-fluorophenyl]ethanone is sourced from PubChem (CID 82535672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).