5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide

C17H24F14N2O2S — CID 143403500

IUPAC5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide
SMILESCCCN(C)CN(C)S(=O)(=O)CCC(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H24F14N2O2S/c1-4-6-32(2)10-33(3)36(34,35)7-5-11(8-12(18,14(20,21)22)15(23,24)25)9-13(19,16(26,27)28)17(29,30)31/h11H,4-10H2,1-3H3
InChIKeyVNCLDFUEOCTPBR-UHFFFAOYSA-N
MW586.43 g/mol
LogP6.00
Rot. Bonds12

About 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide

5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide (PubChem CID 143403500) has the molecular formula C17H24F14N2O2S and a molecular weight of 586.43 g/mol. Its IUPAC name is 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide.

Molecular Properties

Compound Name5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide
PubChem CID143403500
Molecular FormulaC17H24F14N2O2S
Molecular Weight586.43 g/mol
Exact Mass586.13
IUPAC Name5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide
SMILESCCCN(C)CN(C)S(=O)(=O)CCC(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H24F14N2O2S/c1-4-6-32(2)10-33(3)36(34,35)7-5-11(8-12(18,14(20,21)22)15(23,24)25)9-13(19,16(26,27)28)17(29,30)31/h11H,4-10H2,1-3H3
InChIKeyVNCLDFUEOCTPBR-UHFFFAOYSA-N
XLogP6.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.43
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide?
The IUPAC name of 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide (CID 143403500) is 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide.
What is the SMILES notation for 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide?
The canonical SMILES for 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide is CCCN(C)CN(C)S(=O)(=O)CCC(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide?
The InChIKey is VNCLDFUEOCTPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F14N2O2S/c1-4-6-32(2)10-33(3)36(34,35)7-5-11(8-12(18,14(20,21)22)15(23,24)25)9-13(19,16(26,27)28)17(29,30)31/h11H,4-10H2,1-3H3.
What are the key properties of 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide?
5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide has a molecular weight of 586.43 g/mol, XLogP of 6.00, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6,6-tetrafluoro-N-methyl-N-[[methyl(propyl)amino]methyl]-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexane-1-sulfonamide is sourced from PubChem (CID 143403500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).