2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene

C7H4ClF3S2 — CID 134437886

IUPAC2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(SS)c(Cl)c1
InChIInChI=1S/C7H4ClF3S2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,12H
InChIKeyGQPVEWFNQLNBOB-UHFFFAOYSA-N
MW244.69 g/mol
LogP4.30
Rot. Bonds1

About 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene

2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene (PubChem CID 134437886) has the molecular formula C7H4ClF3S2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene
PubChem CID134437886
Molecular FormulaC7H4ClF3S2
Molecular Weight244.69 g/mol
Exact Mass243.94
IUPAC Name2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(SS)c(Cl)c1
InChIInChI=1S/C7H4ClF3S2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,12H
InChIKeyGQPVEWFNQLNBOB-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
4-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2,5-difluoroaniline
CID 14459220
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
5-bromo-4-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-fluoroaniline
CID 14459223
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
CID 71212803
CID 71212803
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene;1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 157379718
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene (CID 134437886) is 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(SS)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene?
The InChIKey is GQPVEWFNQLNBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3S2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,12H.
What are the key properties of 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene?
2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene has a molecular weight of 244.69 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(disulfanyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 134437886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).