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

C15H29F4NO3S — CID 58122757

IUPAC1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)OC(C)(F)F
InChIInChI=1S/C15H29F4NO3S/c1-4-6-8-10-12-20(13-11-9-7-5-2)24(21,22)15(18,19)23-14(3,16)17/h4-13H2,1-3H3
InChIKeyVLPWBFNZVLOJHI-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.96
Rot. Bonds14

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

1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide (PubChem CID 58122757) has the molecular formula C15H29F4NO3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
PubChem CID58122757
Molecular FormulaC15H29F4NO3S
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)OC(C)(F)F
InChIInChI=1S/C15H29F4NO3S/c1-4-6-8-10-12-20(13-11-9-7-5-2)24(21,22)15(18,19)23-14(3,16)17/h4-13H2,1-3H3
InChIKeyVLPWBFNZVLOJHI-UHFFFAOYSA-N
XLogP4.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.96
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-Difluoroethoxy(difluoro)methyl]sulfonylpiperidine
CID 58122698
1-(difluoromethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
CID 58436031
1-[difluoro(oxidoperoxysulfanyl)methoxy]-1,1-difluoro-N,N-dihexylmethanesulfonamide
CID 58961997
1-[difluoro(trioxidanylsulfanyl)methoxy]-1,1-difluoro-N,N-dihexylmethanesulfonamide
CID 58961998
1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide
CID 88916731
1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 126638195
Pentyl-propyl-bis(trifluoromethylsulfonyl)azanium
CID 160038340
1,1,1-trifluoro-N-pentyl-N-propylmethanesulfonamide
CID 175513721
Triethyl(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)azanium;trifluoromethanesulfonate
CID 112758323
Triethyl(4,4,5,5,5-pentafluoropentyl)azanium;trifluoromethanesulfonate
CID 112758324
Triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)azanium;trifluoromethanesulfonate
CID 112758328
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl(triethyl)azanium;trifluoromethanesulfonate
CID 112758330

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
The IUPAC name of 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide (CID 58122757) is 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
The canonical SMILES for 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)OC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
The InChIKey is VLPWBFNZVLOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F4NO3S/c1-4-6-8-10-12-20(13-11-9-7-5-2)24(21,22)15(18,19)23-14(3,16)17/h4-13H2,1-3H3.
What are the key properties of 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide?
1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 4.96, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide is sourced from PubChem (CID 58122757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).