benzyl difluoromethanesulfinate

C8H8F2O2S — CID 160733332

IUPACbenzyl difluoromethanesulfinate
SMILESO=S(OCc1ccccc1)C(F)F
InChIInChI=1S/C8H8F2O2S/c9-8(10)13(11)12-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyRUQAJTJOIOMYBU-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.09
Rot. Bonds4

About benzyl difluoromethanesulfinate

benzyl difluoromethanesulfinate (PubChem CID 160733332) has the molecular formula C8H8F2O2S and a molecular weight of 206.21 g/mol. Its IUPAC name is benzyl difluoromethanesulfinate.

Molecular Properties

Compound Namebenzyl difluoromethanesulfinate
PubChem CID160733332
Molecular FormulaC8H8F2O2S
Molecular Weight206.21 g/mol
Exact Mass206.02
IUPAC Namebenzyl difluoromethanesulfinate
SMILESO=S(OCc1ccccc1)C(F)F
InChIInChI=1S/C8H8F2O2S/c9-8(10)13(11)12-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyRUQAJTJOIOMYBU-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfurous acid, dibenzyl ester
CID 99368
4-(Trifluoromethyl)benzyl sulfamate
CID 24761699
3-[3-(Trifluoromethyl)phenyl]propyl methanesulfonate
CID 46222192
[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate
CID 13270837
Benzyl mesylate
CID 148757
Benzyl[(E)-4,4,4-trifluoro-2-butenyl] ether
CID 10910927
Methanesulfonic acid, trifluoro-, 3,4-dihydro-1-naphthalenyl ester
CID 10967830
Methanesulfonic acid, trifluoro-, 1-phenylethenyl ester
CID 11196068
Difluoromethoxymethylbenzene
CID 13350618
(2,2-Dichloro-3,3,3-trifluoro-1-phenylpropyl) methanesulfonate
CID 13973551
(((2,2-Difluoroethenyl)oxy)methyl)benzene
CID 53483110
2,2-Difluoro-2-(4-fluorophenyl)ethyl trifluoromethanesulfonate
CID 118938600

Frequently Asked Questions

What is the IUPAC name of benzyl difluoromethanesulfinate?
The IUPAC name of benzyl difluoromethanesulfinate (CID 160733332) is benzyl difluoromethanesulfinate.
What is the SMILES notation for benzyl difluoromethanesulfinate?
The canonical SMILES for benzyl difluoromethanesulfinate is O=S(OCc1ccccc1)C(F)F.
What is the InChIKey of benzyl difluoromethanesulfinate?
The InChIKey is RUQAJTJOIOMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2S/c9-8(10)13(11)12-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of benzyl difluoromethanesulfinate?
benzyl difluoromethanesulfinate has a molecular weight of 206.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl difluoromethanesulfinate is sourced from PubChem (CID 160733332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).