2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide

C7H6F7NO — CID 534980

IUPAC2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16)
InChIKeySKKPQHYWKCNHNB-UHFFFAOYSA-N
MW253.12 g/mol
LogP2.12
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide (PubChem CID 534980) has the molecular formula C7H6F7NO and a molecular weight of 253.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide
PubChem CID534980
Molecular FormulaC7H6F7NO
Molecular Weight253.12 g/mol
Exact Mass253.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16)
InChIKeySKKPQHYWKCNHNB-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide (CID 534980) is 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide is C=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide?
The InChIKey is SKKPQHYWKCNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide has a molecular weight of 253.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-prop-2-enylbutanamide is sourced from PubChem (CID 534980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).