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

C14H18ClF10NO — CID 4674738

IUPACN,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCCCCN(CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C14H18ClF10NO/c1-3-5-7-26(8-6-4-2)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h3-8H2,1-2H3
InChIKeyBKIZRGJSJDHTJK-UHFFFAOYSA-N
MW441.74 g/mol
LogP5.79
Rot. Bonds11

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

N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (PubChem CID 4674738) has the molecular formula C14H18ClF10NO and a molecular weight of 441.74 g/mol. Its IUPAC name is N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.

Molecular Properties

Compound NameN,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
PubChem CID4674738
Molecular FormulaC14H18ClF10NO
Molecular Weight441.74 g/mol
Exact Mass441.09
IUPAC NameN,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCCCCN(CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C14H18ClF10NO/c1-3-5-7-26(8-6-4-2)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h3-8H2,1-2H3
InChIKeyBKIZRGJSJDHTJK-UHFFFAOYSA-N
XLogP5.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.74
LogP ≤ 55.79
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 N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide with MolForge

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Related Compounds

N~1~,N~1~,N~6~,N~6~-Tetraethyl-2,3,3,4,4,5-hexafluorohexanediamide
CID 325961
N-butyl-N-(trifluoromethyl)hexanamide
CID 44550869
N-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 2827671
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-hexylhexanamide
CID 3089643
4-chloro-4,4-difluoro-N,N-dihexylbutanamide
CID 53662019
6-[Methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
CID 121378944
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Hexanamide, 6-chloro-N,N-diethyl-
CID 91693890
Hexanamide, 6-chloro-N-ethyl-N-butyl-
CID 91693896
Hexanamide, 6-chloro-N-ethyl-N-propyl-
CID 91693897
Hexanamide, 6-chloro-N-ethyl-N-pentyl-
CID 91693912

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The IUPAC name of N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (CID 4674738) is N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.
What is the SMILES notation for N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The canonical SMILES for N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is CCCCN(CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The InChIKey is BKIZRGJSJDHTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF10NO/c1-3-5-7-26(8-6-4-2)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide has a molecular weight of 441.74 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is sourced from PubChem (CID 4674738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).