1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone

C10H12FNO — CID 166978041

IUPAC1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
SMILESCNCc1cccc(F)c1C(C)=O
InChIInChI=1S/C10H12FNO/c1-7(13)10-8(6-12-2)4-3-5-9(10)11/h3-5,12H,6H2,1-2H3
InChIKeyWTTABHDLOBAKRW-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone

1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone (PubChem CID 166978041) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
PubChem CID166978041
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
SMILESCNCc1cccc(F)c1C(C)=O
InChIInChI=1S/C10H12FNO/c1-7(13)10-8(6-12-2)4-3-5-9(10)11/h3-5,12H,6H2,1-2H3
InChIKeyWTTABHDLOBAKRW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-6-(methylaminomethyl)phenyl]ethanone
CID 166977883
2-fluoro-6-[2-(methylaminomethyl)phenoxy]benzamide
CID 106485411
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469
2-[(2-acetyl-3-fluorophenyl)methyl]butanedioic acid
CID 67663643
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
1-(2,6-diethylphenyl)ethanone
CID 14939611
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone (CID 166978041) is 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone is CNCc1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone?
The InChIKey is WTTABHDLOBAKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7(13)10-8(6-12-2)4-3-5-9(10)11/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone?
1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone has a molecular weight of 181.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone is sourced from PubChem (CID 166978041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).