N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide

C11H10F13NO — CID 11697419

IUPACN-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide
SMILESCN(C=O)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO/c1-25(5-26)4-2-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,2-4H2,1H3
InChIKeyCSYLSNUAMZAKPZ-UHFFFAOYSA-N
MW419.18 g/mol
LogP4.59
Rot. Bonds9

About N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide

N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide (PubChem CID 11697419) has the molecular formula C11H10F13NO and a molecular weight of 419.18 g/mol. Its IUPAC name is N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide
PubChem CID11697419
Molecular FormulaC11H10F13NO
Molecular Weight419.18 g/mol
Exact Mass419.06
IUPAC NameN-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide
SMILESCN(C=O)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO/c1-25(5-26)4-2-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,2-4H2,1H3
InChIKeyCSYLSNUAMZAKPZ-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide?
The IUPAC name of N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide (CID 11697419) is N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide.
What is the SMILES notation for N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide?
The canonical SMILES for N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide is CN(C=O)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide?
The InChIKey is CSYLSNUAMZAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13NO/c1-25(5-26)4-2-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,2-4H2,1H3.
What are the key properties of N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide?
N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide has a molecular weight of 419.18 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)formamide is sourced from PubChem (CID 11697419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).