[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride

C8H5Cl2F3OS — CID 143805347

IUPAC[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
SMILESO=S(Cl)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5Cl2F3OS/c9-7-2-1-6(8(11,12)13)3-5(7)4-15(10)14/h1-3H,4H2
InChIKeyCDGWESBFEPMHQM-UHFFFAOYSA-N
MW277.09 g/mol
LogP3.76
Rot. Bonds2

About [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride

[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride (PubChem CID 143805347) has the molecular formula C8H5Cl2F3OS and a molecular weight of 277.09 g/mol. Its IUPAC name is [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride.

Molecular Properties

Compound Name[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
PubChem CID143805347
Molecular FormulaC8H5Cl2F3OS
Molecular Weight277.09 g/mol
Exact Mass275.94
IUPAC Name[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
SMILESO=S(Cl)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5Cl2F3OS/c9-7-2-1-6(8(11,12)13)3-5(7)4-15(10)14/h1-3H,4H2
InChIKeyCDGWESBFEPMHQM-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
2-chloro-5-(trifluoromethyl)benzenesulfinic acid
CID 20739303
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 11952114
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride?
The IUPAC name of [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride (CID 143805347) is [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride.
What is the SMILES notation for [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride?
The canonical SMILES for [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride is O=S(Cl)Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride?
The InChIKey is CDGWESBFEPMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3OS/c9-7-2-1-6(8(11,12)13)3-5(7)4-15(10)14/h1-3H,4H2.
What are the key properties of [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride?
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride has a molecular weight of 277.09 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride is sourced from PubChem (CID 143805347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).