6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide

C24H38ClF10NO — CID 3089710

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C24H38ClF10NO/c1-3-5-7-9-11-13-15-17-36(18-16-14-12-10-8-6-4-2)19(37)20(26,27)21(28,29)22(30,31)23(32,33)24(25,34)35/h3-18H2,1-2H3
InChIKeySTTIGQZIQQIHTH-UHFFFAOYSA-N
MW582.01 g/mol
LogP9.69
Rot. Bonds21

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide (PubChem CID 3089710) has the molecular formula C24H38ClF10NO and a molecular weight of 582.01 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide
PubChem CID3089710
Molecular FormulaC24H38ClF10NO
Molecular Weight582.01 g/mol
Exact Mass581.25
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C24H38ClF10NO/c1-3-5-7-9-11-13-15-17-36(18-16-14-12-10-8-6-4-2)19(37)20(26,27)21(28,29)22(30,31)23(32,33)24(25,34)35/h3-18H2,1-2H3
InChIKeySTTIGQZIQQIHTH-UHFFFAOYSA-N
XLogP9.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.01
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide (CID 3089710) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide?
The InChIKey is STTIGQZIQQIHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38ClF10NO/c1-3-5-7-9-11-13-15-17-36(18-16-14-12-10-8-6-4-2)19(37)20(26,27)21(28,29)22(30,31)23(32,33)24(25,34)35/h3-18H2,1-2H3.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide has a molecular weight of 582.01 g/mol, XLogP of 9.69, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide is sourced from PubChem (CID 3089710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).