1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene

C14H11Cl2FS — CID 580402

IUPAC1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene
SMILESFc1cccc(Cl)c1CSCc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2FS/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7H,8-9H2
InChIKeyZHHNTIQMYURLNR-UHFFFAOYSA-N
MW301.21 g/mol
LogP5.57
Rot. Bonds4

About 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene

1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene (PubChem CID 580402) has the molecular formula C14H11Cl2FS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene
PubChem CID580402
Molecular FormulaC14H11Cl2FS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene
SMILESFc1cccc(Cl)c1CSCc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2FS/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7H,8-9H2
InChIKeyZHHNTIQMYURLNR-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.21
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene (CID 580402) is 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene is Fc1cccc(Cl)c1CSCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
The InChIKey is ZHHNTIQMYURLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FS/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7H,8-9H2.
What are the key properties of 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene?
1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene has a molecular weight of 301.21 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(4-chlorophenyl)methylsulfanylmethyl]-3-fluorobenzene is sourced from PubChem (CID 580402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).