N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide

C8H10F5NO — CID 59782740

IUPACN-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-3-6(15)14(2)5-4-7(9,10)8(11,12)13/h3H,1,4-5H2,2H3
InChIKeySKFBPFYPQJXYIR-UHFFFAOYSA-N
MW231.16 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide

N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide (PubChem CID 59782740) has the molecular formula C8H10F5NO and a molecular weight of 231.16 g/mol. Its IUPAC name is N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
PubChem CID59782740
Molecular FormulaC8H10F5NO
Molecular Weight231.16 g/mol
Exact Mass231.07
IUPAC NameN-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-3-6(15)14(2)5-4-7(9,10)8(11,12)13/h3H,1,4-5H2,2H3
InChIKeySKFBPFYPQJXYIR-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 52.22
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-dibutylprop-2-enamide
CID 10419855
N-Butyl-N-methyl-2-propenamide
CID 14669957
N-ethyl propyl acrylamide
CID 20027843
N,N-Bis(2,2-difluoroethyl)acrylamide
CID 19792307
N,N-Bis(2,2,2-trifluoroethyl)acrylamide
CID 19792331
1-(2,2,3,4,4,4-Hexafluorobutyl)pyrrole-2,5-dione
CID 19821162
N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide
CID 20644845
N-(3,3,4,4,5,5,6,6,6-nonafluorohexan-2-yl)-N-propylprop-2-enamide
CID 21020707
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
N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-N-propylprop-2-enamide
CID 21020712
N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-methylprop-2-enamide
CID 21020721
N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-propylprop-2-enamide
CID 21020722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide (CID 59782740) is N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide is C=CC(=O)N(C)CCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
The InChIKey is SKFBPFYPQJXYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO/c1-3-6(15)14(2)5-4-7(9,10)8(11,12)13/h3H,1,4-5H2,2H3.
What are the key properties of N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide has a molecular weight of 231.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide is sourced from PubChem (CID 59782740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).