1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide

C6H8F7NO3S — CID 87491031

IUPAC1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7NO3S/c1-14(2-3-15)18(16,17)6(12,13)4(7,8)5(9,10)11/h15H,2-3H2,1H3
InChIKeyDLOXJCMRSHRMIQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP1.03
Rot. Bonds5

About 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide (PubChem CID 87491031) has the molecular formula C6H8F7NO3S and a molecular weight of 307.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide
PubChem CID87491031
Molecular FormulaC6H8F7NO3S
Molecular Weight307.19 g/mol
Exact Mass307.01
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7NO3S/c1-14(2-3-15)18(16,17)6(12,13)4(7,8)5(9,10)11/h15H,2-3H2,1H3
InChIKeyDLOXJCMRSHRMIQ-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide (CID 87491031) is 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide is CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide?
The InChIKey is DLOXJCMRSHRMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F7NO3S/c1-14(2-3-15)18(16,17)6(12,13)4(7,8)5(9,10)11/h15H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide has a molecular weight of 307.19 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 87491031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).