(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide

C7H6F7NO — CID 134900774

IUPAC(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide
SMILESCNC(=O)/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-15-4(16)2-3-5(8,9)6(10,11)7(12,13)14/h2-3H,1H3,(H,15,16)/b3-2+
InChIKeyYWYJESTWIFQSIV-NSCUHMNNSA-N
MW253.12 g/mol
LogP2.12
Rot. Bonds3

About (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide

(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide (PubChem CID 134900774) has the molecular formula C7H6F7NO and a molecular weight of 253.12 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide
PubChem CID134900774
Molecular FormulaC7H6F7NO
Molecular Weight253.12 g/mol
Exact Mass253.03
IUPAC Name(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide
SMILESCNC(=O)/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-15-4(16)2-3-5(8,9)6(10,11)7(12,13)14/h2-3H,1H3,(H,15,16)/b3-2+
InChIKeyYWYJESTWIFQSIV-NSCUHMNNSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 52.12
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 (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide?
The IUPAC name of (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide (CID 134900774) is (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide.
What is the SMILES notation for (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide?
The canonical SMILES for (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide is CNC(=O)/C=C/C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide?
The InChIKey is YWYJESTWIFQSIV-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H6F7NO/c1-15-4(16)2-3-5(8,9)6(10,11)7(12,13)14/h2-3H,1H3,(H,15,16)/b3-2+.
What are the key properties of (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide?
(E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide has a molecular weight of 253.12 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,6-heptafluoro-N-methylhex-2-enamide is sourced from PubChem (CID 134900774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).