1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide

C17H29F8NO3S — CID 88916731

IUPAC1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C17H29F8NO3S/c1-4-6-8-10-12-26(13-11-9-7-5-2)30(27,28)17(24,25)16(22,23)29-15(20,21)14(3,18)19/h4-13H2,1-3H3
InChIKeyDKGULLNQRXBEFQ-UHFFFAOYSA-N
MW479.47 g/mol
LogP6.23
Rot. Bonds16

About 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide

1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide (PubChem CID 88916731) has the molecular formula C17H29F8NO3S and a molecular weight of 479.47 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide
PubChem CID88916731
Molecular FormulaC17H29F8NO3S
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C17H29F8NO3S/c1-4-6-8-10-12-26(13-11-9-7-5-2)30(27,28)17(24,25)16(22,23)29-15(20,21)14(3,18)19/h4-13H2,1-3H3
InChIKeyDKGULLNQRXBEFQ-UHFFFAOYSA-N
XLogP6.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide (CID 88916731) is 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide?
The InChIKey is DKGULLNQRXBEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F8NO3S/c1-4-6-8-10-12-26(13-11-9-7-5-2)30(27,28)17(24,25)16(22,23)29-15(20,21)14(3,18)19/h4-13H2,1-3H3.
What are the key properties of 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide?
1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide has a molecular weight of 479.47 g/mol, XLogP of 6.23, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N,N-dihexyl-2-(1,1,2,2-tetrafluoropropoxy)ethanesulfonamide is sourced from PubChem (CID 88916731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).