1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride

C7H3Cl2F5O2S — CID 174535656

IUPAC1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
SMILESFc1cccc(C(F)(F)F)c1F.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H3F5.Cl2O2S/c8-5-3-1-2-4(6(5)9)7(10,11)12;1-5(2,3)4/h1-3H;
InChIKeyRULGRGWGOOQYIF-UHFFFAOYSA-N
MW317.06 g/mol
LogP3.69
Rot. Bonds

About 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride

1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride (PubChem CID 174535656) has the molecular formula C7H3Cl2F5O2S and a molecular weight of 317.06 g/mol. Its IUPAC name is 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride.

Molecular Properties

Compound Name1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
PubChem CID174535656
Molecular FormulaC7H3Cl2F5O2S
Molecular Weight317.06 g/mol
Exact Mass315.92
IUPAC Name1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
SMILESFc1cccc(C(F)(F)F)c1F.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H3F5.Cl2O2S/c8-5-3-1-2-4(6(5)9)7(10,11)12;1-5(2,3)4/h1-3H;
InChIKeyRULGRGWGOOQYIF-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.06
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143472614
2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
CID 105445622
2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 169448398
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
CID 69226515
CID 69226515
1,2-difluoro-3-(1,1,2-trichloroethyl)benzene
CID 174854875
2-(dichloromethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 16743979
1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
CID 89289121

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride?
The IUPAC name of 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride (CID 174535656) is 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride.
What is the SMILES notation for 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride?
The canonical SMILES for 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride is Fc1cccc(C(F)(F)F)c1F.O=S(=O)(Cl)Cl.
What is the InChIKey of 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride?
The InChIKey is RULGRGWGOOQYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5.Cl2O2S/c8-5-3-1-2-4(6(5)9)7(10,11)12;1-5(2,3)4/h1-3H;.
What are the key properties of 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride?
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride has a molecular weight of 317.06 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride is sourced from PubChem (CID 174535656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).