1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide

C10H8F8N2O3S — CID 101042278

IUPAC1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide
SMILESCc1ccncc1C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C10H8F8N2O3S/c1-5-2-3-20-4-6(5)7(11,12)8(13,14)23-9(15,16)10(17,18)24(19,21)22/h2-4H,1H3,(H2,19,21,22)
InChIKeyYMJQWBMPXDMGJC-UHFFFAOYSA-N
MW388.24 g/mol
LogP2.57
Rot. Bonds6

About 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide (PubChem CID 101042278) has the molecular formula C10H8F8N2O3S and a molecular weight of 388.24 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide
PubChem CID101042278
Molecular FormulaC10H8F8N2O3S
Molecular Weight388.24 g/mol
Exact Mass388.01
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide
SMILESCc1ccncc1C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C10H8F8N2O3S/c1-5-2-3-20-4-6(5)7(11,12)8(13,14)23-9(15,16)10(17,18)24(19,21)22/h2-4H,1H3,(H2,19,21,22)
InChIKeyYMJQWBMPXDMGJC-UHFFFAOYSA-N
XLogP2.57
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide
CID 114827746
1-amino-2-(4-methyl-3-pyridinyl)propan-2-ol
CID 66271911
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296
[4-(trifluoromethyl)-3-pyridinyl] trifluoromethanesulfonate
CID 139986270
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
ethane;4-methyl-3-methylsulfonylpyridine
CID 142044730
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274369

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide (CID 101042278) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide is Cc1ccncc1C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(N)(=O)=O.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide?
The InChIKey is YMJQWBMPXDMGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8N2O3S/c1-5-2-3-20-4-6(5)7(11,12)8(13,14)23-9(15,16)10(17,18)24(19,21)22/h2-4H,1H3,(H2,19,21,22).
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide?
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide has a molecular weight of 388.24 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(4-methyl-3-pyridinyl)ethoxy]ethanesulfonamide is sourced from PubChem (CID 101042278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).