(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

C11H11ClFN — CID 146634232

IUPAC(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESC[C@H]1CCC(c2ccc(F)c(Cl)c2)=N1
InChIInChI=1S/C11H11ClFN/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3/t7-/m0/s1
InChIKeyMGFBNWXXZCUASJ-ZETCQYMHSA-N
MW211.67 g/mol
LogP3.45
Rot. Bonds1

About (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 146634232) has the molecular formula C11H11ClFN and a molecular weight of 211.67 g/mol. Its IUPAC name is (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID146634232
Molecular FormulaC11H11ClFN
Molecular Weight211.67 g/mol
Exact Mass211.06
IUPAC Name(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESC[C@H]1CCC(c2ccc(F)c(Cl)c2)=N1
InChIInChI=1S/C11H11ClFN/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3/t7-/m0/s1
InChIKeyMGFBNWXXZCUASJ-ZETCQYMHSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 146634232) is (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is C[C@H]1CCC(c2ccc(F)c(Cl)c2)=N1.
What is the InChIKey of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is MGFBNWXXZCUASJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClFN/c1-7-2-5-11(14-7)8-3-4-10(13)9(12)6-8/h3-4,6-7H,2,5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
(2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 211.67 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(3-chloro-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 146634232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).