2,4-difluoro-1-methylsulfonylbenzene;titanium

C7H6F2O2STi — CID 174383433

IUPAC2,4-difluoro-1-methylsulfonylbenzene;titanium
SMILESCS(=O)(=O)c1ccc(F)cc1F.[Ti]
InChIInChI=1S/C7H6F2O2S.Ti/c1-12(10,11)7-3-2-5(8)4-6(7)9;/h2-4H,1H3;
InChIKeyQNKDYIALBIIUKV-UHFFFAOYSA-N
MW240.05 g/mol
LogP1.37
Rot. Bonds1

About 2,4-difluoro-1-methylsulfonylbenzene;titanium

2,4-difluoro-1-methylsulfonylbenzene;titanium (PubChem CID 174383433) has the molecular formula C7H6F2O2STi and a molecular weight of 240.05 g/mol. Its IUPAC name is 2,4-difluoro-1-methylsulfonylbenzene;titanium.

Molecular Properties

Compound Name2,4-difluoro-1-methylsulfonylbenzene;titanium
PubChem CID174383433
Molecular FormulaC7H6F2O2STi
Molecular Weight240.05 g/mol
Exact Mass239.95
IUPAC Name2,4-difluoro-1-methylsulfonylbenzene;titanium
SMILESCS(=O)(=O)c1ccc(F)cc1F.[Ti]
InChIInChI=1S/C7H6F2O2S.Ti/c1-12(10,11)7-3-2-5(8)4-6(7)9;/h2-4H,1H3;
InChIKeyQNKDYIALBIIUKV-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
5-fluoro-2-methylsulfonylaniline
CID 22567345
3-fluoro-4-methylsulfonylbenzenesulfonyl fluoride
CID 165459599
2-tert-butyl-4-fluoro-1-methylsulfonylbenzene
CID 129167909
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
3-fluoro-4-methylsulfonylbenzaldehyde
CID 21251732
potassium trifluoro-(3-fluoro-4-methylsulfonylphenyl)boranuide
CID 131674176
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
CID 66877132
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-methylsulfonylbenzene;titanium?
The IUPAC name of 2,4-difluoro-1-methylsulfonylbenzene;titanium (CID 174383433) is 2,4-difluoro-1-methylsulfonylbenzene;titanium.
What is the SMILES notation for 2,4-difluoro-1-methylsulfonylbenzene;titanium?
The canonical SMILES for 2,4-difluoro-1-methylsulfonylbenzene;titanium is CS(=O)(=O)c1ccc(F)cc1F.[Ti].
What is the InChIKey of 2,4-difluoro-1-methylsulfonylbenzene;titanium?
The InChIKey is QNKDYIALBIIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2S.Ti/c1-12(10,11)7-3-2-5(8)4-6(7)9;/h2-4H,1H3;.
What are the key properties of 2,4-difluoro-1-methylsulfonylbenzene;titanium?
2,4-difluoro-1-methylsulfonylbenzene;titanium has a molecular weight of 240.05 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylsulfonylbenzene;titanium is sourced from PubChem (CID 174383433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).