1-(2-chloro-6-fluorophenyl)pyrrole

C10H7ClFN — CID 2804446

IUPAC1-(2-chloro-6-fluorophenyl)pyrrole
SMILESFc1cccc(Cl)c1-n1cccc1
InChIInChI=1S/C10H7ClFN/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H
InChIKeyYXOOCAWWKFZOIG-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.27
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)pyrrole

1-(2-chloro-6-fluorophenyl)pyrrole (PubChem CID 2804446) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)pyrrole
PubChem CID2804446
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name1-(2-chloro-6-fluorophenyl)pyrrole
SMILESFc1cccc(Cl)c1-n1cccc1
InChIInChI=1S/C10H7ClFN/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H
InChIKeyYXOOCAWWKFZOIG-UHFFFAOYSA-N
XLogP3.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)pyrrole?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)pyrrole (CID 2804446) is 1-(2-chloro-6-fluorophenyl)pyrrole.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)pyrrole?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)pyrrole is Fc1cccc(Cl)c1-n1cccc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)pyrrole?
The InChIKey is YXOOCAWWKFZOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H.
What are the key properties of 1-(2-chloro-6-fluorophenyl)pyrrole?
1-(2-chloro-6-fluorophenyl)pyrrole has a molecular weight of 195.62 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)pyrrole is sourced from PubChem (CID 2804446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).