N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide

C6H6F7NO — CID 4218327

IUPACN-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-2-14-3(15)4(7,8)5(9,10)6(11,12)13/h2H2,1H3,(H,14,15)
InChIKeyPNDQTLWFMTZBFC-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.96
Rot. Bonds3

About N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide

N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4218327) has the molecular formula C6H6F7NO and a molecular weight of 241.11 g/mol. Its IUPAC name is N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4218327
Molecular FormulaC6H6F7NO
Molecular Weight241.11 g/mol
Exact Mass241.03
IUPAC NameN-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-2-14-3(15)4(7,8)5(9,10)6(11,12)13/h2H2,1H3,(H,14,15)
InChIKeyPNDQTLWFMTZBFC-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.96
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-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4218327) is N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide is CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is PNDQTLWFMTZBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO/c1-2-14-3(15)4(7,8)5(9,10)6(11,12)13/h2H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 241.11 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4218327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).