2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide

C9H12F7NO — CID 614724

IUPAC2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO/c1-2-3-4-5-17-6(18)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3,(H,17,18)
InChIKeyRXZZJNFYVKKCJW-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.13
Rot. Bonds6

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

2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide (PubChem CID 614724) has the molecular formula C9H12F7NO and a molecular weight of 283.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide
PubChem CID614724
Molecular FormulaC9H12F7NO
Molecular Weight283.19 g/mol
Exact Mass283.08
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide
SMILESCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO/c1-2-3-4-5-17-6(18)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3,(H,17,18)
InChIKeyRXZZJNFYVKKCJW-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-pentylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide (CID 614724) is 2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide is CCCCCNC(=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-pentylbutanamide?
The InChIKey is RXZZJNFYVKKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F7NO/c1-2-3-4-5-17-6(18)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3,(H,17,18).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide has a molecular weight of 283.19 g/mol, XLogP of 3.13, 6 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-pentylbutanamide is sourced from PubChem (CID 614724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).