2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide

C7H8F7NO — CID 614782

IUPAC2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKeyJOIQPQYVCOJAAJ-UHFFFAOYSA-N
MW255.13 g/mol
LogP2.35
Rot. Bonds4

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

2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide (PubChem CID 614782) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
PubChem CID614782
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKeyJOIQPQYVCOJAAJ-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide
CID 141040255
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl-hexadecyl-dimethylazanium
CID 101065701
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl-hydroxy-dimethylazanium
CID 163324496
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide (CID 614782) is 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide is CCCNC(=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-propylbutanamide?
The InChIKey is JOIQPQYVCOJAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO/c1-2-3-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide has a molecular weight of 255.13 g/mol, XLogP of 2.35, 4 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-propylbutanamide is sourced from PubChem (CID 614782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).