2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane

C18H16ClF3OS — CID 118432527

IUPAC2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane
SMILESFC(F)(F)c1cccc(SC2CCC(c3ccc(Cl)cc3)OC2)c1
InChIInChI=1S/C18H16ClF3OS/c19-14-6-4-12(5-7-14)17-9-8-16(11-23-17)24-15-3-1-2-13(10-15)18(20,21)22/h1-7,10,16-17H,8-9,11H2
InChIKeyFCRYRMQBWASJDC-UHFFFAOYSA-N
MW372.84 g/mol
LogP6.37
Rot. Bonds3

About 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane

2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane (PubChem CID 118432527) has the molecular formula C18H16ClF3OS and a molecular weight of 372.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane
PubChem CID118432527
Molecular FormulaC18H16ClF3OS
Molecular Weight372.84 g/mol
Exact Mass372.06
IUPAC Name2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane
SMILESFC(F)(F)c1cccc(SC2CCC(c3ccc(Cl)cc3)OC2)c1
InChIInChI=1S/C18H16ClF3OS/c19-14-6-4-12(5-7-14)17-9-8-16(11-23-17)24-15-3-1-2-13(10-15)18(20,21)22/h1-7,10,16-17H,8-9,11H2
InChIKeyFCRYRMQBWASJDC-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.84
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The IUPAC name of 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane (CID 118432527) is 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The canonical SMILES for 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane is FC(F)(F)c1cccc(SC2CCC(c3ccc(Cl)cc3)OC2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The InChIKey is FCRYRMQBWASJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3OS/c19-14-6-4-12(5-7-14)17-9-8-16(11-23-17)24-15-3-1-2-13(10-15)18(20,21)22/h1-7,10,16-17H,8-9,11H2.
What are the key properties of 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane?
2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane has a molecular weight of 372.84 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyloxane is sourced from PubChem (CID 118432527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).