2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide

C9H14F4N2O2 — CID 103733151

IUPAC2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)NC)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O2/c1-3-4-15(5-6(16)14-2)8(17)9(12,13)7(10)11/h7H,3-5H2,1-2H3,(H,14,16)
InChIKeyCSTHFRFAFGQWDK-UHFFFAOYSA-N
MW258.21 g/mol
LogP0.87
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide

2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide (PubChem CID 103733151) has the molecular formula C9H14F4N2O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
PubChem CID103733151
Molecular FormulaC9H14F4N2O2
Molecular Weight258.21 g/mol
Exact Mass258.10
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)NC)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H14F4N2O2/c1-3-4-15(5-6(16)14-2)8(17)9(12,13)7(10)11/h7H,3-5H2,1-2H3,(H,14,16)
InChIKeyCSTHFRFAFGQWDK-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62848178
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
CID 103732461
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092043
2-hydroxy-3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 66167409
N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710228

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide (CID 103733151) is 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)NC)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
The InChIKey is CSTHFRFAFGQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O2/c1-3-4-15(5-6(16)14-2)8(17)9(12,13)7(10)11/h7H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide?
2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide has a molecular weight of 258.21 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 103733151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).