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

C8H10F7NO — CID 169289327

IUPAC2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide
SMILESCCCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO/c1-3-4-16(2)5(17)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3
InChIKeyKVVNOLDGDJKDAS-UHFFFAOYSA-N
MW269.16 g/mol
LogP2.69
Rot. Bonds4

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

2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide (PubChem CID 169289327) has the molecular formula C8H10F7NO and a molecular weight of 269.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide
PubChem CID169289327
Molecular FormulaC8H10F7NO
Molecular Weight269.16 g/mol
Exact Mass269.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide
SMILESCCCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO/c1-3-4-16(2)5(17)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3
InChIKeyKVVNOLDGDJKDAS-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
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-1-pyrrolidin-1-ylbutan-1-one
CID 326528
2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
2,2,3,3,4,4,4-Heptafluoro-N,N-bis(2-methylpropyl)butanamide
CID 4606680
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
N,N-Diethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748458
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N,N-Dibutyl-2,2,2-trifluoroacetamide
CID 307195
N-Methyl-N-n-butyltrifluoroacetamide
CID 587692

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide (CID 169289327) is 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide is CCCN(C)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-methyl-N-propylbutanamide?
The InChIKey is KVVNOLDGDJKDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO/c1-3-4-16(2)5(17)6(9,10)7(11,12)8(13,14)15/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide has a molecular weight of 269.16 g/mol, XLogP of 2.69, 4 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-methyl-N-propylbutanamide is sourced from PubChem (CID 169289327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).