N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide

C10H8F7NO — CID 139438484

IUPACN-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NC1=CC=CCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H,18,19)
InChIKeyYTEYQIHSJREEFA-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.17
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide

N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 139438484) has the molecular formula C10H8F7NO and a molecular weight of 291.17 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID139438484
Molecular FormulaC10H8F7NO
Molecular Weight291.17 g/mol
Exact Mass291.05
IUPAC NameN-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NC1=CC=CCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H,18,19)
InChIKeyYTEYQIHSJREEFA-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.17
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 N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 139438484) is N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NC1=CC=CCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is YTEYQIHSJREEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H,18,19).
What are the key properties of N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 291.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 139438484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).