4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide

C8H8F7NO — CID 173480202

IUPAC4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide
SMILESCC(=CC(F)(F)C(F)(F)CC(F)(F)F)C(N)=O
InChIInChI=1S/C8H8F7NO/c1-4(5(16)17)2-6(9,10)7(11,12)3-8(13,14)15/h2H,3H2,1H3,(H2,16,17)
InChIKeyUPLQBVBFUPLMCB-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.64
Rot. Bonds4

About 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide

4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide (PubChem CID 173480202) has the molecular formula C8H8F7NO and a molecular weight of 267.14 g/mol. Its IUPAC name is 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide.

Molecular Properties

Compound Name4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide
PubChem CID173480202
Molecular FormulaC8H8F7NO
Molecular Weight267.14 g/mol
Exact Mass267.05
IUPAC Name4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide
SMILESCC(=CC(F)(F)C(F)(F)CC(F)(F)F)C(N)=O
InChIInChI=1S/C8H8F7NO/c1-4(5(16)17)2-6(9,10)7(11,12)3-8(13,14)15/h2H,3H2,1H3,(H2,16,17)
InChIKeyUPLQBVBFUPLMCB-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.64
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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Related Compounds

(E)-2,4,4-trimethyl-6-oxohept-2-enamide
CID 88789893
3-fluoro-2-methylprop-2-enamide
CID 140678662
2-methylhept-2-enamide;hydrate
CID 172812574
5,5,5-trihydroxy-2-methylpent-2-enamide
CID 173294065
4,4,5,5,6,6-hexafluoro-2-methylnon-2-enoic acid
CID 87262359
2-methylpent-2-enamide
CID 66895957
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-methyltridec-2-enoate
CID 175381852
6-amino-2-methylhex-2-enamide
CID 54113800
guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
(E)-5-ethyl-2-methylhept-2-enamide
CID 140867486
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide
CID 139943346

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide?
The IUPAC name of 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide (CID 173480202) is 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide.
What is the SMILES notation for 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide?
The canonical SMILES for 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide is CC(=CC(F)(F)C(F)(F)CC(F)(F)F)C(N)=O.
What is the InChIKey of 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide?
The InChIKey is UPLQBVBFUPLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO/c1-4(5(16)17)2-6(9,10)7(11,12)3-8(13,14)15/h2H,3H2,1H3,(H2,16,17).
What are the key properties of 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide?
4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide has a molecular weight of 267.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,7,7,7-heptafluoro-2-methylhept-2-enamide is sourced from PubChem (CID 173480202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).