1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide

C14H27F4NO3S — CID 58436031

IUPAC1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)OC(F)F
InChIInChI=1S/C14H27F4NO3S/c1-3-5-7-9-11-19(12-10-8-6-4-2)23(20,21)14(17,18)22-13(15)16/h13H,3-12H2,1-2H3
InChIKeyUDZBAQDQAATMPW-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.57
Rot. Bonds14

About 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide

1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide (PubChem CID 58436031) has the molecular formula C14H27F4NO3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide.

Molecular Properties

Compound Name1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
PubChem CID58436031
Molecular FormulaC14H27F4NO3S
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)OC(F)F
InChIInChI=1S/C14H27F4NO3S/c1-3-5-7-9-11-19(12-10-8-6-4-2)23(20,21)14(17,18)22-13(15)16/h13H,3-12H2,1-2H3
InChIKeyUDZBAQDQAATMPW-UHFFFAOYSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-hexadecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858970
N,N-dipentylethanesulfonamide
CID 3453334
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
tricosane;trifluoromethanesulfonic acid
CID 161255361
tributyl(octyl)phosphanium;trifluoromethanesulfonate
CID 87573485
tributyl(dodecyl)phosphanium;trifluoromethanesulfonate
CID 87119491
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
1-fluorononyl trifluoromethanesulfonate
CID 122369701
2-(didodecylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 164590098
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
The IUPAC name of 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide (CID 58436031) is 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide.
What is the SMILES notation for 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
The canonical SMILES for 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
The InChIKey is UDZBAQDQAATMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F4NO3S/c1-3-5-7-9-11-19(12-10-8-6-4-2)23(20,21)14(17,18)22-13(15)16/h13H,3-12H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 4.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide is sourced from PubChem (CID 58436031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).