4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole

C14H14F2N2 — CID 162179379

IUPAC4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
SMILESFc1ccc(C2=CN=C([C@@H]3CCCN3)C2)c(F)c1
InChIInChI=1S/C14H14F2N2/c15-10-3-4-11(12(16)7-10)9-6-14(18-8-9)13-2-1-5-17-13/h3-4,7-8,13,17H,1-2,5-6H2/t13-/m0/s1
InChIKeyZOUWEWAWROEYII-ZDUSSCGKSA-N
MW248.28 g/mol
LogP2.90
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole

4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole (PubChem CID 162179379) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
PubChem CID162179379
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
SMILESFc1ccc(C2=CN=C([C@@H]3CCCN3)C2)c(F)c1
InChIInChI=1S/C14H14F2N2/c15-10-3-4-11(12(16)7-10)9-6-14(18-8-9)13-2-1-5-17-13/h3-4,7-8,13,17H,1-2,5-6H2/t13-/m0/s1
InChIKeyZOUWEWAWROEYII-ZDUSSCGKSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole (CID 162179379) is 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole is Fc1ccc(C2=CN=C([C@@H]3CCCN3)C2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The InChIKey is ZOUWEWAWROEYII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-10-3-4-11(12(16)7-10)9-6-14(18-8-9)13-2-1-5-17-13/h3-4,7-8,13,17H,1-2,5-6H2/t13-/m0/s1.
What are the key properties of 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole has a molecular weight of 248.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole is sourced from PubChem (CID 162179379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).