1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene

C13H7Cl2F3S — CID 58715690

IUPAC1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESFC(F)(F)c1ccccc1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl2F3S/c14-9-5-3-6-10(15)12(9)19-11-7-2-1-4-8(11)13(16,17)18/h1-7H
InChIKeyLYDXGSYQZIOZIC-UHFFFAOYSA-N
MW323.17 g/mol
LogP6.16
Rot. Bonds2

About 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene

1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene (PubChem CID 58715690) has the molecular formula C13H7Cl2F3S and a molecular weight of 323.17 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene
PubChem CID58715690
Molecular FormulaC13H7Cl2F3S
Molecular Weight323.17 g/mol
Exact Mass321.96
IUPAC Name1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESFC(F)(F)c1ccccc1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl2F3S/c14-9-5-3-6-10(15)12(9)19-11-7-2-1-4-8(11)13(16,17)18/h1-7H
InChIKeyLYDXGSYQZIOZIC-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.17
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloro-4-(2-methylphenyl)sulfanylbenzene
CID 11770414
(4-Chlorophenyl)(difluoro)methyl phenyl sulfide
CID 640474
1-Chloro-4-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfanylbenzene
CID 73427426
1,3-Dichloro-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene
CID 102434845
1,3,5-Trichloro-2-[(4-fluorophenyl)methylsulfanyl]benzene
CID 134954516
1-[[(R)-(2,4-dichlorophenyl)sulfinyl]methyl]-2,3,4,5,6-pentafluorobenzene
CID 139147686
1-[[(S)-(2,4-dichlorophenyl)sulfinyl]methyl]-2,3,4,5,6-pentafluorobenzene
CID 139147687
1-Chloro-4-(2,2-difluoro-1-phenylsulfanylethenyl)benzene
CID 176422318
1-Chloro-2-(2,2-difluoro-1-phenylsulfanylethenyl)benzene
CID 176422321
1-Chloro-3-(2,2-difluoro-1-phenylsulfanylethenyl)benzene
CID 176422322
1-chloro-4-[(1E)-1-phenyl-3-(trifluoromethyl)buta-1,3-dien-2-yl]sulfanylbenzene
CID 176423010
4-Chloro-1-(4-chlorophenyl)sulfanyl-2-(difluoromethyl)benzene
CID 176437960

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene (CID 58715690) is 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene is FC(F)(F)c1ccccc1Sc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
The InChIKey is LYDXGSYQZIOZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3S/c14-9-5-3-6-10(15)12(9)19-11-7-2-1-4-8(11)13(16,17)18/h1-7H.
What are the key properties of 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene has a molecular weight of 323.17 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 58715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).