1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite

C6H2F12O3S — CID 87155902

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F12O3S/c7-2(8,9)1-20-22(19)21-6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
InChIKeyJQAPMGQRXALTRY-UHFFFAOYSA-N
MW382.12 g/mol
LogP3.59
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite

1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite (PubChem CID 87155902) has the molecular formula C6H2F12O3S and a molecular weight of 382.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite
PubChem CID87155902
Molecular FormulaC6H2F12O3S
Molecular Weight382.12 g/mol
Exact Mass381.95
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F12O3S/c7-2(8,9)1-20-22(19)21-6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
InChIKeyJQAPMGQRXALTRY-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,2-trifluoroethyl) sulfite
CID 318171
Bis(2,2,3,3-tetrafluoropropyl) sulfite
CID 13709358
Chlorosulfurous acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 11232283
Chlorosulfurous acid, 2,2,3,3-tetrafluoropropyl ester
CID 11481313
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
CID 13382257
1,1,2,2,3,3,4,4-Octafluoro-5-fluorosulfinyloxypentane
CID 12653221
2,2,3,3,3-Pentafluoropropyl sulfite
CID 17910095
1,2,2,2-Tetrafluoroethyl sulfite
CID 57302582
1,1,1,2,2,3,3-Heptafluoro-4-oxidooxybutane
CID 58781689
1,1,2,2,2-Pentafluoroethyl 2,2,2-trifluoroethyl sulfite
CID 87154443
Difluoromethyl 2,2,2-trifluoroethyl sulfite
CID 87154524
2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl sulfite
CID 87154541

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite (CID 87155902) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite is O=S(OCC(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is JQAPMGQRXALTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O3S/c7-2(8,9)1-20-22(19)21-6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite?
1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 382.12 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87155902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).