1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene

C14H11ClF2S — CID 2804859

IUPAC1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene
SMILESFc1cccc(CSCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H11ClF2S/c15-13-5-2-6-14(17)12(13)9-18-8-10-3-1-4-11(16)7-10/h1-7H,8-9H2
InChIKeyGEOXBYSOPHTNCO-UHFFFAOYSA-N
MW284.76 g/mol
LogP5.05
Rot. Bonds4

About 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene

1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene (PubChem CID 2804859) has the molecular formula C14H11ClF2S and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene
PubChem CID2804859
Molecular FormulaC14H11ClF2S
Molecular Weight284.76 g/mol
Exact Mass284.02
IUPAC Name1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene
SMILESFc1cccc(CSCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H11ClF2S/c15-13-5-2-6-14(17)12(13)9-18-8-10-3-1-4-11(16)7-10/h1-7H,8-9H2
InChIKeyGEOXBYSOPHTNCO-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.76
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene (CID 2804859) is 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene is Fc1cccc(CSCc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene?
The InChIKey is GEOXBYSOPHTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2S/c15-13-5-2-6-14(17)12(13)9-18-8-10-3-1-4-11(16)7-10/h1-7H,8-9H2.
What are the key properties of 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene?
1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene has a molecular weight of 284.76 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[(3-fluorophenyl)methylsulfanylmethyl]benzene is sourced from PubChem (CID 2804859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).