N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide

C12H10F13NO — CID 59018814

IUPACN,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F13NO/c1-5(2)6(27)26(3)4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,4H2,2-3H3
InChIKeyPXZIIPRDPRDEDT-UHFFFAOYSA-N
MW431.19 g/mol
LogP4.76
Rot. Bonds7

About N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide

N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide (PubChem CID 59018814) has the molecular formula C12H10F13NO and a molecular weight of 431.19 g/mol. Its IUPAC name is N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
PubChem CID59018814
Molecular FormulaC12H10F13NO
Molecular Weight431.19 g/mol
Exact Mass431.06
IUPAC NameN,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F13NO/c1-5(2)6(27)26(3)4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,4H2,2-3H3
InChIKeyPXZIIPRDPRDEDT-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.19
LogP ≤ 54.76
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-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
3-Methyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)pyrrole-2,5-dione
CID 20319913
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)azepan-1-yl]prop-2-en-1-one
CID 20727673
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aziridin-1-yl]prop-2-en-1-one
CID 20727675
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)aziridin-1-yl]prop-2-en-1-one
CID 20727676
2-Methyl-1-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 20727677
2-methyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide
CID 20727679
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020691
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)-2-methylprop-2-enamide
CID 21020709
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-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-N-methylprop-2-enamide
CID 21020711

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide (CID 59018814) is N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide is C=C(C)C(=O)N(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide?
The InChIKey is PXZIIPRDPRDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F13NO/c1-5(2)6(27)26(3)4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,4H2,2-3H3.
What are the key properties of N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide?
N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide has a molecular weight of 431.19 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)prop-2-enamide is sourced from PubChem (CID 59018814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).