1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene

C14H10ClF3OS — CID 59882021

IUPAC1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene
SMILESFC(F)(F)Oc1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClF3OS/c15-11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)19-14(16,17)18/h1-8H,9H2
InChIKeyRMXRPBSDRLKACF-UHFFFAOYSA-N
MW318.75 g/mol
LogP5.53
Rot. Bonds4

About 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene

1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene (PubChem CID 59882021) has the molecular formula C14H10ClF3OS and a molecular weight of 318.75 g/mol. Its IUPAC name is 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene
PubChem CID59882021
Molecular FormulaC14H10ClF3OS
Molecular Weight318.75 g/mol
Exact Mass318.01
IUPAC Name1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene
SMILESFC(F)(F)Oc1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClF3OS/c15-11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)19-14(16,17)18/h1-8H,9H2
InChIKeyRMXRPBSDRLKACF-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.75
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dichloro-2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]benzene
CID 2744518
1-[2-(4-Chlorophenyl)sulfanylethylsulfonyl]-4-(trifluoromethoxy)benzene
CID 2820857
1-Chloro-4-(phenoxymethylsulfanyl)benzene
CID 12439510
1-(4-Chlorophenylthio)methoxy-3-trifluoromethylbenzene
CID 13097729
1-Fluoro-4-[1-(4-methoxyphenyl)ethylsulfanyl]benzene
CID 51032604
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(4-chlorophenyl)sulfane
CID 162623263
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-chlorophenyl)sulfane
CID 162623314
1-(2,2-Difluoro-1-phenylsulfanylethenyl)-4-methoxybenzene
CID 176422317
1-[(E)-1-chloro-2-(4-fluorophenyl)sulfonylethenyl]-4-methoxybenzene
CID 178336722
4-Chloro-2-methoxy-1-[4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 178346443
1-Chloro-4-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]sulfanylbenzene
CID 11731727
1-Chloro-4-[(4-methylphenoxy)methylsulfanyl]benzene
CID 12439511

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene?
The IUPAC name of 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene (CID 59882021) is 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene.
What is the SMILES notation for 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene?
The canonical SMILES for 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene is FC(F)(F)Oc1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene?
The InChIKey is RMXRPBSDRLKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3OS/c15-11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)19-14(16,17)18/h1-8H,9H2.
What are the key properties of 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene?
1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene has a molecular weight of 318.75 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene is sourced from PubChem (CID 59882021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).