N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C27H42F13NO — CID 3089720

IUPACN,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C27H42F13NO/c1-3-5-7-9-11-13-15-17-19-41(20-18-16-14-12-10-8-6-4-2)21(42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h3-20H2,1-2H3
InChIKeyAGWFFKYSJJVFNT-UHFFFAOYSA-N
MW643.61 g/mol
LogP10.84
Rot. Bonds23

About N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 3089720) has the molecular formula C27H42F13NO and a molecular weight of 643.61 g/mol. Its IUPAC name is N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID3089720
Molecular FormulaC27H42F13NO
Molecular Weight643.61 g/mol
Exact Mass643.31
IUPAC NameN,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C27H42F13NO/c1-3-5-7-9-11-13-15-17-19-41(20-18-16-14-12-10-8-6-4-2)21(42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h3-20H2,1-2H3
InChIKeyAGWFFKYSJJVFNT-UHFFFAOYSA-N
XLogP10.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.61
LogP ≤ 510.84
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-Diethyldodecanamide
CID 18783
N,N-Dibutyldodecanamide
CID 219313
Diethyl caprylamide
CID 70456
N,N-Diethyldecanamide
CID 304087
N,N-diethylnonanamide
CID 303119
N,N-dibutyldecanamide
CID 304086
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
N,N-Diethyloctadecanamide
CID 575487
N,N-Dibutyloctanamide
CID 93627
Octanamide, N,N-dihexyl-
CID 533135
N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 3089720) is N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is AGWFFKYSJJVFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F13NO/c1-3-5-7-9-11-13-15-17-19-41(20-18-16-14-12-10-8-6-4-2)21(42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h3-20H2,1-2H3.
What are the key properties of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 643.61 g/mol, XLogP of 10.84, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 3089720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).