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

C27H43F12NO — CID 3089721

IUPACN,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C27H43F12NO/c1-3-5-7-9-11-13-15-17-19-40(20-18-16-14-12-10-8-6-4-2)22(41)24(32,33)26(36,37)27(38,39)25(34,35)23(30,31)21(28)29/h21H,3-20H2,1-2H3
InChIKeyHHMROEGGCQCIMQ-UHFFFAOYSA-N
MW625.62 g/mol
LogP10.54
Rot. Bonds24

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

N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide (PubChem CID 3089721) has the molecular formula C27H43F12NO and a molecular weight of 625.62 g/mol. Its IUPAC name is N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide.

Molecular Properties

Compound NameN,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
PubChem CID3089721
Molecular FormulaC27H43F12NO
Molecular Weight625.62 g/mol
Exact Mass625.32
IUPAC NameN,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C27H43F12NO/c1-3-5-7-9-11-13-15-17-19-40(20-18-16-14-12-10-8-6-4-2)22(41)24(32,33)26(36,37)27(38,39)25(34,35)23(30,31)21(28)29/h21H,3-20H2,1-2H3
InChIKeyHHMROEGGCQCIMQ-UHFFFAOYSA-N
XLogP10.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.62
LogP ≤ 510.54
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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Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The IUPAC name of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide (CID 3089721) is N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide.
What is the SMILES notation for N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The canonical SMILES for N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The InChIKey is HHMROEGGCQCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43F12NO/c1-3-5-7-9-11-13-15-17-19-40(20-18-16-14-12-10-8-6-4-2)22(41)24(32,33)26(36,37)27(38,39)25(34,35)23(30,31)21(28)29/h21H,3-20H2,1-2H3.
What are the key properties of N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide has a molecular weight of 625.62 g/mol, XLogP of 10.54, 24 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-dodecafluoroheptanamide is sourced from PubChem (CID 3089721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).