2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole

C11H7Cl3FNS — CID 18949073

IUPAC2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole
SMILESFC(Cl)(Cl)Sc1ccc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C11H7Cl3FNS/c12-8-3-1-2-7(6-8)9-4-5-10(16-9)17-11(13,14)15/h1-6,16H
InChIKeyPPUNOWMUMIORNX-UHFFFAOYSA-N
MW310.61 g/mol
LogP5.49
Rot. Bonds3

About 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole

2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole (PubChem CID 18949073) has the molecular formula C11H7Cl3FNS and a molecular weight of 310.61 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole
PubChem CID18949073
Molecular FormulaC11H7Cl3FNS
Molecular Weight310.61 g/mol
Exact Mass308.93
IUPAC Name2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole
SMILESFC(Cl)(Cl)Sc1ccc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C11H7Cl3FNS/c12-8-3-1-2-7(6-8)9-4-5-10(16-9)17-11(13,14)15/h1-6,16H
InChIKeyPPUNOWMUMIORNX-UHFFFAOYSA-N
XLogP5.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-1H-pyrrol-2-amine
CID 117222744
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
3-amino-6-(3-chlorophenyl)-1H-pyridin-2-one
CID 105476832
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
CID 125492769
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 166272958
2-chloro-4-(3-chlorophenyl)-6-(trifluoromethyl)aniline
CID 171916753
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
7-bromo-2-(3-chlorophenyl)-1H-indole
CID 131886846
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole?
The IUPAC name of 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole (CID 18949073) is 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole is FC(Cl)(Cl)Sc1ccc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole?
The InChIKey is PPUNOWMUMIORNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3FNS/c12-8-3-1-2-7(6-8)9-4-5-10(16-9)17-11(13,14)15/h1-6,16H.
What are the key properties of 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole?
2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole has a molecular weight of 310.61 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[dichloro(fluoro)methyl]sulfanyl-1H-pyrrole is sourced from PubChem (CID 18949073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).