N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide

C17H35F2NO2S — CID 58435992

IUPACN,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)F
InChIInChI=1S/C17H35F2NO2S/c1-5-9-11-15(7-3)13-20(23(21,22)17(18)19)14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChIKeyYTCVWJOKQIHLAQ-UHFFFAOYSA-N
MW355.54 g/mol
LogP5.27
Rot. Bonds14

About N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide

N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide (PubChem CID 58435992) has the molecular formula C17H35F2NO2S and a molecular weight of 355.54 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
PubChem CID58435992
Molecular FormulaC17H35F2NO2S
Molecular Weight355.54 g/mol
Exact Mass355.24
IUPAC NameN,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)F
InChIInChI=1S/C17H35F2NO2S/c1-5-9-11-15(7-3)13-20(23(21,22)17(18)19)14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChIKeyYTCVWJOKQIHLAQ-UHFFFAOYSA-N
XLogP5.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide (CID 58435992) is N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is YTCVWJOKQIHLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35F2NO2S/c1-5-9-11-15(7-3)13-20(23(21,22)17(18)19)14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide?
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 355.54 g/mol, XLogP of 5.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 58435992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).