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

C4H2F7NO — CID 54382680

IUPACN,2,2,3,3,4,4-heptafluorobutanamide
SMILESO=C(NF)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F7NO/c5-1(6)3(7,8)4(9,10)2(13)12-11/h1H,(H,12,13)
InChIKeyURHNFMDZRDQZNJ-UHFFFAOYSA-N
MW213.05 g/mol
LogP1.52
Rot. Bonds3

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

N,2,2,3,3,4,4-heptafluorobutanamide (PubChem CID 54382680) has the molecular formula C4H2F7NO and a molecular weight of 213.05 g/mol. Its IUPAC name is N,2,2,3,3,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN,2,2,3,3,4,4-heptafluorobutanamide
PubChem CID54382680
Molecular FormulaC4H2F7NO
Molecular Weight213.05 g/mol
Exact Mass213.00
IUPAC NameN,2,2,3,3,4,4-heptafluorobutanamide
SMILESO=C(NF)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F7NO/c5-1(6)3(7,8)4(9,10)2(13)12-11/h1H,(H,12,13)
InChIKeyURHNFMDZRDQZNJ-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.05
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2,3,3,4,4-heptafluorobutanamide?
The IUPAC name of N,2,2,3,3,4,4-heptafluorobutanamide (CID 54382680) is N,2,2,3,3,4,4-heptafluorobutanamide.
What is the SMILES notation for N,2,2,3,3,4,4-heptafluorobutanamide?
The canonical SMILES for N,2,2,3,3,4,4-heptafluorobutanamide is O=C(NF)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,2,2,3,3,4,4-heptafluorobutanamide?
The InChIKey is URHNFMDZRDQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7NO/c5-1(6)3(7,8)4(9,10)2(13)12-11/h1H,(H,12,13).
What are the key properties of N,2,2,3,3,4,4-heptafluorobutanamide?
N,2,2,3,3,4,4-heptafluorobutanamide has a molecular weight of 213.05 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,3,3,4,4-heptafluorobutanamide is sourced from PubChem (CID 54382680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).