N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

C10H10F9NO — CID 21020775

IUPACN-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9NO/c1-3-6(21)20(2)5-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1,4-5H2,2H3
InChIKeyDCDGCYHDZJQXDG-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.49
Rot. Bonds6

About N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (PubChem CID 21020775) has the molecular formula C10H10F9NO and a molecular weight of 331.18 g/mol. Its IUPAC name is N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
PubChem CID21020775
Molecular FormulaC10H10F9NO
Molecular Weight331.18 g/mol
Exact Mass331.06
IUPAC NameN-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9NO/c1-3-6(21)20(2)5-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1,4-5H2,2H3
InChIKeyDCDGCYHDZJQXDG-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (CID 21020775) is N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is C=CC(=O)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The InChIKey is DCDGCYHDZJQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9NO/c1-3-6(21)20(2)5-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1,4-5H2,2H3.
What are the key properties of N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide has a molecular weight of 331.18 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is sourced from PubChem (CID 21020775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).