(2,3-difluorophenyl)methyl methanesulfonate

C8H8F2O3S — CID 102620759

IUPAC(2,3-difluorophenyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCc1cccc(F)c1F
InChIInChI=1S/C8H8F2O3S/c1-14(11,12)13-5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3
InChIKeyHHVXKSPLVUASIE-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.44
Rot. Bonds3

About (2,3-difluorophenyl)methyl methanesulfonate

(2,3-difluorophenyl)methyl methanesulfonate (PubChem CID 102620759) has the molecular formula C8H8F2O3S and a molecular weight of 222.21 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl methanesulfonate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl methanesulfonate
PubChem CID102620759
Molecular FormulaC8H8F2O3S
Molecular Weight222.21 g/mol
Exact Mass222.02
IUPAC Name(2,3-difluorophenyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCc1cccc(F)c1F
InChIInChI=1S/C8H8F2O3S/c1-14(11,12)13-5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3
InChIKeyHHVXKSPLVUASIE-UHFFFAOYSA-N
XLogP1.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
CID 59479330
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430
[2-(hydroxymethyl)phenyl]methyl methanesulfonate
CID 91507365
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
(5-ethyl-2-fluorophenyl)methyl methanesulfonate
CID 130132959
[2-(phenoxymethyl)phenyl]methyl methanesulfonate
CID 126722935
(2-benzylphenyl)methyl methanesulfonate
CID 10446159
2-[(2,3-difluorophenyl)methoxy]ethanamine
CID 62343610
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
(2-cyanophenyl)methyl methanesulfonate
CID 107936439
(7-fluoro-1,3-benzoxazol-2-yl)methyl methanesulfonate
CID 130132806
N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43658842

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl methanesulfonate?
The IUPAC name of (2,3-difluorophenyl)methyl methanesulfonate (CID 102620759) is (2,3-difluorophenyl)methyl methanesulfonate.
What is the SMILES notation for (2,3-difluorophenyl)methyl methanesulfonate?
The canonical SMILES for (2,3-difluorophenyl)methyl methanesulfonate is CS(=O)(=O)OCc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)methyl methanesulfonate?
The InChIKey is HHVXKSPLVUASIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3S/c1-14(11,12)13-5-6-3-2-4-7(9)8(6)10/h2-4H,5H2,1H3.
What are the key properties of (2,3-difluorophenyl)methyl methanesulfonate?
(2,3-difluorophenyl)methyl methanesulfonate has a molecular weight of 222.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl methanesulfonate is sourced from PubChem (CID 102620759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).