6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide

C12H14ClF10NO — CID 3089643

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide
SMILESCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C12H14ClF10NO/c1-2-3-4-5-6-24-7(25)8(14,15)9(16,17)10(18,19)11(20,21)12(13,22)23/h2-6H2,1H3,(H,24,25)
InChIKeyWGOXNWNWGVOFCL-UHFFFAOYSA-N
MW413.68 g/mol
LogP5.06
Rot. Bonds10

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide (PubChem CID 3089643) has the molecular formula C12H14ClF10NO and a molecular weight of 413.68 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide
PubChem CID3089643
Molecular FormulaC12H14ClF10NO
Molecular Weight413.68 g/mol
Exact Mass413.06
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide
SMILESCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C12H14ClF10NO/c1-2-3-4-5-6-24-7(25)8(14,15)9(16,17)10(18,19)11(20,21)12(13,22)23/h2-6H2,1H3,(H,24,25)
InChIKeyWGOXNWNWGVOFCL-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.68
LogP ≤ 55.06
H-Bond Donors ≤ 51
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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Related Compounds

N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 3735895
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 5127442
N-[3-(Dimethylamino)propyl]-perfluorohexanamide
CID 139596925
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-pentylnonanamide
CID 4165117
N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4991892
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-N-propyloctanamide
CID 12633186
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-pentylheptanamide
CID 5063618
6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 2827671
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro-N-propyldodecanamide
CID 101752062
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-propylheptanamide
CID 3554543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide (CID 3089643) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide is CCCCCCNC(=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-hexylhexanamide?
The InChIKey is WGOXNWNWGVOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF10NO/c1-2-3-4-5-6-24-7(25)8(14,15)9(16,17)10(18,19)11(20,21)12(13,22)23/h2-6H2,1H3,(H,24,25).
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide has a molecular weight of 413.68 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 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-hexylhexanamide is sourced from PubChem (CID 3089643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).