1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone

C10H12FNO — CID 84657859

IUPAC1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1CF
InChIInChI=1S/C10H12FNO/c1-12-7-10(13)9-5-3-2-4-8(9)6-11/h2-5,12H,6-7H2,1H3
InChIKeyHWXIAQBKYFZJAX-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone

1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 84657859) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
PubChem CID84657859
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1CF
InChIInChI=1S/C10H12FNO/c1-12-7-10(13)9-5-3-2-4-8(9)6-11/h2-5,12H,6-7H2,1H3
InChIKeyHWXIAQBKYFZJAX-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
2-(fluoromethyl)benzoyl chloride;dihydrochloride
CID 141117669
2-(fluoromethyl)-N-phenylbenzamide
CID 141101349
1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
CID 84788996
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone (CID 84657859) is 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1CF.
What is the InChIKey of 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is HWXIAQBKYFZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-7-10(13)9-5-3-2-4-8(9)6-11/h2-5,12H,6-7H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone?
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 181.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84657859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).