N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide

C9H13F4NO — CID 89314935

IUPACN-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO/c1-4-14(7(15)6(2)3)5-9(12,13)8(10)11/h8H,2,4-5H2,1,3H3
InChIKeyDRACKPNUWOQQDD-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.31
Rot. Bonds5

About N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide

N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (PubChem CID 89314935) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
PubChem CID89314935
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC NameN-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC)CC(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO/c1-4-14(7(15)6(2)3)5-9(12,13)8(10)11/h8H,2,4-5H2,1,3H3
InChIKeyDRACKPNUWOQQDD-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylmethacrylamide
CID 228225
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
1-Pyrrolidin-1-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 134988961
2-Hydroperfluoroisobutanoic acid-N,N-di(2-propenyl)amide
CID 534738
N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-methyl-N-propylprop-2-enamide
CID 21020708
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-N,2-dimethylprop-2-enamide
CID 21020710
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020714
N,2-dimethyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)prop-2-enamide
CID 21020715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The IUPAC name of N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide (CID 89314935) is N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is C=C(C)C(=O)N(CC)CC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
The InChIKey is DRACKPNUWOQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-4-14(7(15)6(2)3)5-9(12,13)8(10)11/h8H,2,4-5H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide?
N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide has a molecular weight of 227.20 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide is sourced from PubChem (CID 89314935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).