1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one

C10H11F2NO — CID 82112284

IUPAC1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H11F2NO/c1-13-5-4-10(14)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3
InChIKeyCCPTZULFBROOFF-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.76
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one

1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one (PubChem CID 82112284) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
PubChem CID82112284
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H11F2NO/c1-13-5-4-10(14)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3
InChIKeyCCPTZULFBROOFF-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
CID 82115206
1-(2,5-difluorophenyl)-4-hydroxybutan-1-one
CID 70946452
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide
CID 94271165
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280
1-(2,5-difluorophenyl)but-3-yn-1-one
CID 63661122

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one (CID 82112284) is 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one is CNCCC(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one?
The InChIKey is CCPTZULFBROOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-13-5-4-10(14)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one?
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one has a molecular weight of 199.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 82112284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).