2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide

C12H13F5N2O — CID 75518644

IUPAC2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C12H13F5N2O/c1-19(2)9(20)6-18-11(12(15,16)17)10-7(13)4-3-5-8(10)14/h3-5,11,18H,6H2,1-2H3
InChIKeyPQFXRMTZQFPOCR-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.25
Rot. Bonds4

About 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide

2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide (PubChem CID 75518644) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide
PubChem CID75518644
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(c1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C12H13F5N2O/c1-19(2)9(20)6-18-11(12(15,16)17)10-7(13)4-3-5-8(10)14/h3-5,11,18H,6H2,1-2H3
InChIKeyPQFXRMTZQFPOCR-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N-(methylcarbamoyl)acetamide
CID 97346844
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
4-[[[(1S)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]methyl]benzamide
CID 124616764
(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol
CID 110020517
1-[(1S)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]urea
CID 99701536
1-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 86800350
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
3-[(1S)-1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 99702013
1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]hex-5-en-2-ol
CID 110020518
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 75518631

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide (CID 75518644) is 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(c1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide?
The InChIKey is PQFXRMTZQFPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O/c1-19(2)9(20)6-18-11(12(15,16)17)10-7(13)4-3-5-8(10)14/h3-5,11,18H,6H2,1-2H3.
What are the key properties of 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide?
2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide has a molecular weight of 296.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 75518644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).