2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide

C14H22F7NO — CID 617537

IUPAC2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO/c1-3-5-7-9-22(10-8-6-4-2)11(23)12(15,16)13(17,18)14(19,20)21/h3-10H2,1-2H3
InChIKeyQHTSBQPSSBXGHC-UHFFFAOYSA-N
MW353.32 g/mol
LogP5.03
Rot. Bonds10

About 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide

2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide (PubChem CID 617537) has the molecular formula C14H22F7NO and a molecular weight of 353.32 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide
PubChem CID617537
Molecular FormulaC14H22F7NO
Molecular Weight353.32 g/mol
Exact Mass353.16
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO/c1-3-5-7-9-22(10-8-6-4-2)11(23)12(15,16)13(17,18)14(19,20)21/h3-10H2,1-2H3
InChIKeyQHTSBQPSSBXGHC-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.32
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N-dipentylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide (CID 617537) is 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide is CCCCCN(CCCCC)C(=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,N-dipentylbutanamide?
The InChIKey is QHTSBQPSSBXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F7NO/c1-3-5-7-9-22(10-8-6-4-2)11(23)12(15,16)13(17,18)14(19,20)21/h3-10H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N,N-dipentylbutanamide has a molecular weight of 353.32 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 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,N-dipentylbutanamide is sourced from PubChem (CID 617537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).