2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide

C14H27F2NO2 — CID 153306593

IUPAC2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide
SMILESCC(C)CNC(=O)C(F)(F)CCCCOCC(C)C
InChIInChI=1S/C14H27F2NO2/c1-11(2)9-17-13(18)14(15,16)7-5-6-8-19-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKeyYOTFLHUPGWEZOV-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.24
Rot. Bonds10

About 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide

2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide (PubChem CID 153306593) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide
PubChem CID153306593
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC Name2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide
SMILESCC(C)CNC(=O)C(F)(F)CCCCOCC(C)C
InChIInChI=1S/C14H27F2NO2/c1-11(2)9-17-13(18)14(15,16)7-5-6-8-19-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKeyYOTFLHUPGWEZOV-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(2-methylpropyl)tridecanamide
CID 138530179
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
CID 153306587
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221
2-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 104936506
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
7-(2-methylpropoxy)heptan-2-one
CID 170366767
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide?
The IUPAC name of 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide (CID 153306593) is 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide is CC(C)CNC(=O)C(F)(F)CCCCOCC(C)C.
What is the InChIKey of 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide?
The InChIKey is YOTFLHUPGWEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO2/c1-11(2)9-17-13(18)14(15,16)7-5-6-8-19-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide?
2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide has a molecular weight of 279.37 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 153306593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).