6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

C26H42ClF10NO — CID 3089719

IUPAC6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C26H42ClF10NO/c1-3-5-7-9-11-13-15-17-19-38(20-18-16-14-12-10-8-6-4-2)21(39)22(28,29)23(30,31)24(32,33)25(34,35)26(27,36)37/h3-20H2,1-2H3
InChIKeyHDKOJLRTSYIPFK-UHFFFAOYSA-N
MW610.06 g/mol
LogP10.47
Rot. Bonds23

About 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (PubChem CID 3089719) has the molecular formula C26H42ClF10NO and a molecular weight of 610.06 g/mol. Its IUPAC name is 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.

Molecular Properties

Compound Name6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
PubChem CID3089719
Molecular FormulaC26H42ClF10NO
Molecular Weight610.06 g/mol
Exact Mass609.28
IUPAC Name6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C26H42ClF10NO/c1-3-5-7-9-11-13-15-17-19-38(20-18-16-14-12-10-8-6-4-2)21(39)22(28,29)23(30,31)24(32,33)25(34,35)26(27,36)37/h3-20H2,1-2H3
InChIKeyHDKOJLRTSYIPFK-UHFFFAOYSA-N
XLogP10.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.06
LogP ≤ 510.47
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-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The IUPAC name of 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (CID 3089719) is 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.
What is the SMILES notation for 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The canonical SMILES for 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is CCCCCCCCCCN(CCCCCCCCCC)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-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The InChIKey is HDKOJLRTSYIPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42ClF10NO/c1-3-5-7-9-11-13-15-17-19-38(20-18-16-14-12-10-8-6-4-2)21(39)22(28,29)23(30,31)24(32,33)25(34,35)26(27,36)37/h3-20H2,1-2H3.
What are the key properties of 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide has a molecular weight of 610.06 g/mol, XLogP of 10.47, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is sourced from PubChem (CID 3089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).