3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide

C7H4F9NO — CID 87269835

IUPAC3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F9NO/c1-2(3(17)18)4(8,9)5(10,11)6(12,13)7(14,15)16/h1H2,(H2,17,18)
InChIKeyZIISDIWHCVPPTP-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.50
Rot. Bonds4

About 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide

3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide (PubChem CID 87269835) has the molecular formula C7H4F9NO and a molecular weight of 289.10 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide
PubChem CID87269835
Molecular FormulaC7H4F9NO
Molecular Weight289.10 g/mol
Exact Mass289.01
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F9NO/c1-2(3(17)18)4(8,9)5(10,11)6(12,13)7(14,15)16/h1H2,(H2,17,18)
InChIKeyZIISDIWHCVPPTP-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.50
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 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide (CID 87269835) is 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide is C=C(C(N)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide?
The InChIKey is ZIISDIWHCVPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F9NO/c1-2(3(17)18)4(8,9)5(10,11)6(12,13)7(14,15)16/h1H2,(H2,17,18).
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide?
3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide has a molecular weight of 289.10 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluoro-2-methylidenehexanamide is sourced from PubChem (CID 87269835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).