2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide

C18H30F7NO — CID 532979

IUPAC2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H30F7NO/c1-3-5-7-9-11-13-26(14-12-10-8-6-4-2)15(27)16(19,20)17(21,22)18(23,24)25/h3-14H2,1-2H3
InChIKeyKSUKSKFLNBADIC-UHFFFAOYSA-N
MW409.43 g/mol
LogP6.59
Rot. Bonds14

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

2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide (PubChem CID 532979) has the molecular formula C18H30F7NO and a molecular weight of 409.43 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide
PubChem CID532979
Molecular FormulaC18H30F7NO
Molecular Weight409.43 g/mol
Exact Mass409.22
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H30F7NO/c1-3-5-7-9-11-13-26(14-12-10-8-6-4-2)15(27)16(19,20)17(21,22)18(23,24)25/h3-14H2,1-2H3
InChIKeyKSUKSKFLNBADIC-UHFFFAOYSA-N
XLogP6.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.43
LogP ≤ 56.59
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-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614894
N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
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
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N,N-di-n-Pentylheptafluorobutyramide
CID 617537
N,N-di-n-Undecyltrifluoroacetamide
CID 631766
N~1~,N~1~,N~6~,N~6~-Tetraethyl-2,3,3,4,4,5-hexafluorohexanediamide
CID 325961
Heptafluorobutanamide, N,N-dihexyl-
CID 532976

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide (CID 532979) is 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide is CCCCCCCN(CCCCCCC)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-diheptylbutanamide?
The InChIKey is KSUKSKFLNBADIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F7NO/c1-3-5-7-9-11-13-26(14-12-10-8-6-4-2)15(27)16(19,20)17(21,22)18(23,24)25/h3-14H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N,N-diheptylbutanamide has a molecular weight of 409.43 g/mol, XLogP of 6.59, 14 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-diheptylbutanamide is sourced from PubChem (CID 532979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).