1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene

C14H6Cl2F6S — CID 58715684

IUPAC1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl2F6S/c15-10-2-1-3-11(16)12(10)23-9-5-7(13(17,18)19)4-8(6-9)14(20,21)22/h1-6H
InChIKeyQTTZEQZXCVWXEG-UHFFFAOYSA-N
MW391.16 g/mol
LogP7.18
Rot. Bonds2

About 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene

1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene (PubChem CID 58715684) has the molecular formula C14H6Cl2F6S and a molecular weight of 391.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene
PubChem CID58715684
Molecular FormulaC14H6Cl2F6S
Molecular Weight391.16 g/mol
Exact Mass389.95
IUPAC Name1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl2F6S/c15-10-2-1-3-11(16)12(10)23-9-5-7(13(17,18)19)4-8(6-9)14(20,21)22/h1-6H
InChIKeyQTTZEQZXCVWXEG-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.16
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene (CID 58715684) is 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(Sc2c(Cl)cccc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene?
The InChIKey is QTTZEQZXCVWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F6S/c15-10-2-1-3-11(16)12(10)23-9-5-7(13(17,18)19)4-8(6-9)14(20,21)22/h1-6H.
What are the key properties of 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene?
1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene has a molecular weight of 391.16 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfanyl-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 58715684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).