2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone

C12H15F2NO — CID 116556091

IUPAC2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
SMILESCCC(C)NCC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-3-8(2)15-7-11(16)9-5-4-6-10(13)12(9)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyDQODGUYUWZHFOF-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.54
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone

2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone (PubChem CID 116556091) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
PubChem CID116556091
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
SMILESCCC(C)NCC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-3-8(2)15-7-11(16)9-5-4-6-10(13)12(9)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyDQODGUYUWZHFOF-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(1-benzothiophen-7-yl)-2-(butan-2-ylamino)ethanone
CID 116556159
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
CID 116581531
3-(aminomethyl)-1-(2,3-difluorophenyl)-5-methylhexan-1-one
CID 116576806
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone (CID 116556091) is 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone is CCC(C)NCC(=O)c1cccc(F)c1F.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is DQODGUYUWZHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-8(2)15-7-11(16)9-5-4-6-10(13)12(9)14/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone?
2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone has a molecular weight of 227.25 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 116556091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).