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

C10H10F9NO — CID 21020691

IUPAC2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9NO/c1-5(2)6(21)20-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3,(H,20,21)
InChIKeyRLPSTVNLHAHWST-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.54
Rot. Bonds6

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

2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (PubChem CID 21020691) has the molecular formula C10H10F9NO and a molecular weight of 331.18 g/mol. Its IUPAC name is 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
PubChem CID21020691
Molecular FormulaC10H10F9NO
Molecular Weight331.18 g/mol
Exact Mass331.06
IUPAC Name2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9NO/c1-5(2)6(21)20-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3,(H,20,21)
InChIKeyRLPSTVNLHAHWST-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
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 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (CID 21020691) is 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is C=C(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The InChIKey is RLPSTVNLHAHWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9NO/c1-5(2)6(21)20-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3,(H,20,21).
What are the key properties of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
2-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 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is sourced from PubChem (CID 21020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).