6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide

C14H18ClF10NO — CID 4157925

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C14H18ClF10NO/c1-7(2)5-26(6-8(3)4)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h7-8H,5-6H2,1-4H3
InChIKeyDEQMIHMOHSCYGA-UHFFFAOYSA-N
MW441.74 g/mol
LogP5.50
Rot. Bonds9

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide (PubChem CID 4157925) has the molecular formula C14H18ClF10NO and a molecular weight of 441.74 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide
PubChem CID4157925
Molecular FormulaC14H18ClF10NO
Molecular Weight441.74 g/mol
Exact Mass441.09
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C14H18ClF10NO/c1-7(2)5-26(6-8(3)4)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h7-8H,5-6H2,1-4H3
InChIKeyDEQMIHMOHSCYGA-UHFFFAOYSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.74
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
4-chloro-4,4-difluoro-N,N-dihexylbutanamide
CID 53662019
6-[Methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
CID 121378944
Hexanamide, 6-chloro-N-ethyl-N-isobutyl-
CID 91693797
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide
CID 3089710
6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 3089719
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-dihexylundecanamide
CID 3089847
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-di(nonyl)undecanamide
CID 3089848
11-chloro-N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 3089849
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-me thylpropyl)undecanamide
CID 3089870
1-(Azepan-1-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-one
CID 3272973
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dioctylhexanamide
CID 3387387

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide (CID 4157925) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide is CC(C)CN(CC(C)C)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-bis(2-methylpropyl)hexanamide?
The InChIKey is DEQMIHMOHSCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF10NO/c1-7(2)5-26(6-8(3)4)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide has a molecular weight of 441.74 g/mol, XLogP of 5.50, 9 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-bis(2-methylpropyl)hexanamide is sourced from PubChem (CID 4157925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).