2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide

C8H4F13NO — CID 3089658

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F13NO/c1-22-2(23)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3,(H,22,23)
InChIKeyGMDGDPMNUQLIPP-UHFFFAOYSA-N
MW377.10 g/mol
LogP3.47
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide (PubChem CID 3089658) has the molecular formula C8H4F13NO and a molecular weight of 377.10 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide
PubChem CID3089658
Molecular FormulaC8H4F13NO
Molecular Weight377.10 g/mol
Exact Mass377.01
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F13NO/c1-22-2(23)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3,(H,22,23)
InChIKeyGMDGDPMNUQLIPP-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide (CID 3089658) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide is CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide?
The InChIKey is GMDGDPMNUQLIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F13NO/c1-22-2(23)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3,(H,22,23).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide has a molecular weight of 377.10 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-methylheptanamide is sourced from PubChem (CID 3089658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).