N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione

C15H13F8NO3 — CID 158193392

IUPACN-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
SMILESCC(C)(C)C(=O)Nc1c(F)cccc1F.O=C(C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F2NO.C4F6O2/c1-11(2,3)10(15)14-9-7(12)5-4-6-8(9)13;5-3(6,7)1(11)2(12)4(8,9)10/h4-6H,1-3H3,(H,14,15);
InChIKeyGAARMNJIDPNLFW-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.20
Rot. Bonds2

About N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione

N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione (PubChem CID 158193392) has the molecular formula C15H13F8NO3 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
PubChem CID158193392
Molecular FormulaC15H13F8NO3
Molecular Weight407.26 g/mol
Exact Mass407.08
IUPAC NameN-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
SMILESCC(C)(C)C(=O)Nc1c(F)cccc1F.O=C(C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F2NO.C4F6O2/c1-11(2,3)10(15)14-9-7(12)5-4-6-8(9)13;5-3(6,7)1(11)2(12)4(8,9)10/h4-6H,1-3H3,(H,14,15);
InChIKeyGAARMNJIDPNLFW-UHFFFAOYSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
CID 82110411
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
3-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylbutanamide
CID 107599820
1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
CID 70985257
N-[2-fluoro-6-(4-methoxyphenyl)sulfanylphenyl]-2,2-dimethylpropanamide
CID 18801078
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037485
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide
CID 18801058
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
N-(2,6-difluorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967857

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?
The IUPAC name of N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione (CID 158193392) is N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione.
What is the SMILES notation for N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?
The canonical SMILES for N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione is CC(C)(C)C(=O)Nc1c(F)cccc1F.O=C(C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?
The InChIKey is GAARMNJIDPNLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO.C4F6O2/c1-11(2,3)10(15)14-9-7(12)5-4-6-8(9)13;5-3(6,7)1(11)2(12)4(8,9)10/h4-6H,1-3H3,(H,14,15);.
What are the key properties of N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?
N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione has a molecular weight of 407.26 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione is sourced from PubChem (CID 158193392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).