2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

C9H9F6NO2 — CID 134465597

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC(F)(F)F)C(=O)CC(F)(F)F
InChIInChI=1S/C9H9F6NO2/c1-5(2)7(18)16(4-9(13,14)15)6(17)3-8(10,11)12/h1,3-4H2,2H3
InChIKeyCIBQFABPGCDZJA-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.43
Rot. Bonds3

About 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide

2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (PubChem CID 134465597) has the molecular formula C9H9F6NO2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
PubChem CID134465597
Molecular FormulaC9H9F6NO2
Molecular Weight277.16 g/mol
Exact Mass277.05
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC(F)(F)F)C(=O)CC(F)(F)F
InChIInChI=1S/C9H9F6NO2/c1-5(2)7(18)16(4-9(13,14)15)6(17)3-8(10,11)12/h1,3-4H2,2H3
InChIKeyCIBQFABPGCDZJA-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
CID 134988730
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020714
2-methyl-N-propyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
CID 59018747
N-butyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 59018768
N-ethyl-2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 59018807
N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
CID 59018814
N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
CID 59018819
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylprop-2-enamide
CID 59165203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide (CID 134465597) is 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is C=C(C)C(=O)N(CC(F)(F)F)C(=O)CC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
The InChIKey is CIBQFABPGCDZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NO2/c1-5(2)7(18)16(4-9(13,14)15)6(17)3-8(10,11)12/h1,3-4H2,2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide?
2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide has a molecular weight of 277.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide is sourced from PubChem (CID 134465597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).