2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole

C11H7Cl2F2NS — CID 18949070

IUPAC2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole
SMILESFC(F)(Cl)Sc1ccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H7Cl2F2NS/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)17-11(13,14)15/h1-6,16H
InChIKeyHORDXUUGFABTTN-UHFFFAOYSA-N
MW294.15 g/mol
LogP5.22
Rot. Bonds3

About 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole

2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole (PubChem CID 18949070) has the molecular formula C11H7Cl2F2NS and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole
PubChem CID18949070
Molecular FormulaC11H7Cl2F2NS
Molecular Weight294.15 g/mol
Exact Mass292.96
IUPAC Name2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole
SMILESFC(F)(Cl)Sc1ccc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H7Cl2F2NS/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)17-11(13,14)15/h1-6,16H
InChIKeyHORDXUUGFABTTN-UHFFFAOYSA-N
XLogP5.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.15
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole?
The IUPAC name of 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole (CID 18949070) is 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole.
What is the SMILES notation for 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole?
The canonical SMILES for 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole is FC(F)(Cl)Sc1ccc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole?
The InChIKey is HORDXUUGFABTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F2NS/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)17-11(13,14)15/h1-6,16H.
What are the key properties of 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole?
2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole has a molecular weight of 294.15 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]sulfanyl-5-(4-chlorophenyl)-1H-pyrrole is sourced from PubChem (CID 18949070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).