3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole

C7H9ClFN — CID 146392569

IUPAC3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole
SMILESCC(C)c1[nH]c(F)cc1Cl
InChIInChI=1S/C7H9ClFN/c1-4(2)7-5(8)3-6(9)10-7/h3-4,10H,1-2H3
InChIKeyGJAGFDLDIDDZAN-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.93
Rot. Bonds1

About 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole

3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole (PubChem CID 146392569) has the molecular formula C7H9ClFN and a molecular weight of 161.61 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole
PubChem CID146392569
Molecular FormulaC7H9ClFN
Molecular Weight161.61 g/mol
Exact Mass161.04
IUPAC Name3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole
SMILESCC(C)c1[nH]c(F)cc1Cl
InChIInChI=1S/C7H9ClFN/c1-4(2)7-5(8)3-6(9)10-7/h3-4,10H,1-2H3
InChIKeyGJAGFDLDIDDZAN-UHFFFAOYSA-N
XLogP2.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole?
The IUPAC name of 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole (CID 146392569) is 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole?
The canonical SMILES for 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole is CC(C)c1[nH]c(F)cc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole?
The InChIKey is GJAGFDLDIDDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN/c1-4(2)7-5(8)3-6(9)10-7/h3-4,10H,1-2H3.
What are the key properties of 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole?
3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole has a molecular weight of 161.61 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 146392569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).