2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide

C16H26F7NO — CID 532976

IUPAC2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H26F7NO/c1-3-5-7-9-11-24(12-10-8-6-4-2)13(25)14(17,18)15(19,20)16(21,22)23/h3-12H2,1-2H3
InChIKeyLRDBYJRSHOQVJO-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.81
Rot. Bonds12

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

2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide (PubChem CID 532976) has the molecular formula C16H26F7NO and a molecular weight of 381.38 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide
PubChem CID532976
Molecular FormulaC16H26F7NO
Molecular Weight381.38 g/mol
Exact Mass381.19
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H26F7NO/c1-3-5-7-9-11-24(12-10-8-6-4-2)13(25)14(17,18)15(19,20)16(21,22)23/h3-12H2,1-2H3
InChIKeyLRDBYJRSHOQVJO-UHFFFAOYSA-N
XLogP5.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.81
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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Related Compounds

N,N-Dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 544022
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
N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
N,N-di-(n-Undecyl)heptafluorobutanamide
CID 631749
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
Butanamide, N,N-dihexyl-
CID 533361
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N,N-di-n-Pentylheptafluorobutyramide
CID 617537
N,N-di-n-Undecyltrifluoroacetamide
CID 631766

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide (CID 532976) is 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide is CCCCCCN(CCCCCC)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-dihexylbutanamide?
The InChIKey is LRDBYJRSHOQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F7NO/c1-3-5-7-9-11-24(12-10-8-6-4-2)13(25)14(17,18)15(19,20)16(21,22)23/h3-12H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N,N-dihexylbutanamide has a molecular weight of 381.38 g/mol, XLogP of 5.81, 12 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-dihexylbutanamide is sourced from PubChem (CID 532976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).