1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone

C11H12ClF2NO — CID 84706282

IUPAC1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(Cl)c1C(C)(F)F
InChIInChI=1S/C11H12ClF2NO/c1-11(13,14)10-7(9(16)6-15-2)4-3-5-8(10)12/h3-5,15H,6H2,1-2H3
InChIKeyNWSGQYXGWLUIDO-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.85
Rot. Bonds4

About 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone

1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 84706282) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone
PubChem CID84706282
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(Cl)c1C(C)(F)F
InChIInChI=1S/C11H12ClF2NO/c1-11(13,14)10-7(9(16)6-15-2)4-3-5-8(10)12/h3-5,15H,6H2,1-2H3
InChIKeyNWSGQYXGWLUIDO-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.85
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
3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
CID 84682261
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
2-anilino-1-(2-chlorophenyl)ethanone
CID 116555252
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
[3-chloro-2-(1,1-difluoroethyl)phenyl]methanesulfonyl chloride
CID 117466693

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone (CID 84706282) is 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1cccc(Cl)c1C(C)(F)F.
What is the InChIKey of 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is NWSGQYXGWLUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-11(13,14)10-7(9(16)6-15-2)4-3-5-8(10)12/h3-5,15H,6H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone?
1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 247.67 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84706282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).