3-chloro-2-ethyl-5-fluoro-1H-pyrrole

C6H7ClFN — CID 146392571

IUPAC3-chloro-2-ethyl-5-fluoro-1H-pyrrole
SMILESCCc1[nH]c(F)cc1Cl
InChIInChI=1S/C6H7ClFN/c1-2-5-4(7)3-6(8)9-5/h3,9H,2H2,1H3
InChIKeyWFJZHGFXFHDWNM-UHFFFAOYSA-N
MW147.58 g/mol
LogP2.37
Rot. Bonds1

About 3-chloro-2-ethyl-5-fluoro-1H-pyrrole

3-chloro-2-ethyl-5-fluoro-1H-pyrrole (PubChem CID 146392571) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-fluoro-1H-pyrrole.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-fluoro-1H-pyrrole
PubChem CID146392571
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name3-chloro-2-ethyl-5-fluoro-1H-pyrrole
SMILESCCc1[nH]c(F)cc1Cl
InChIInChI=1S/C6H7ClFN/c1-2-5-4(7)3-6(8)9-5/h3,9H,2H2,1H3
InChIKeyWFJZHGFXFHDWNM-UHFFFAOYSA-N
XLogP2.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-fluoro-1H-pyrrole?
The IUPAC name of 3-chloro-2-ethyl-5-fluoro-1H-pyrrole (CID 146392571) is 3-chloro-2-ethyl-5-fluoro-1H-pyrrole.
What is the SMILES notation for 3-chloro-2-ethyl-5-fluoro-1H-pyrrole?
The canonical SMILES for 3-chloro-2-ethyl-5-fluoro-1H-pyrrole is CCc1[nH]c(F)cc1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-fluoro-1H-pyrrole?
The InChIKey is WFJZHGFXFHDWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-2-5-4(7)3-6(8)9-5/h3,9H,2H2,1H3.
What are the key properties of 3-chloro-2-ethyl-5-fluoro-1H-pyrrole?
3-chloro-2-ethyl-5-fluoro-1H-pyrrole has a molecular weight of 147.58 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-fluoro-1H-pyrrole is sourced from PubChem (CID 146392571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).