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

C14H15FN2 — CID 149180877

IUPAC4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
SMILESFc1ccccc1C1=CN=C([C@@H]2CCCN2)C1
InChIInChI=1S/C14H15FN2/c15-12-5-2-1-4-11(12)10-8-14(17-9-10)13-6-3-7-16-13/h1-2,4-5,9,13,16H,3,6-8H2/t13-/m0/s1
InChIKeyXAXSHBVDRZGVRS-ZDUSSCGKSA-N
MW230.29 g/mol
LogP2.76
Rot. Bonds2

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

4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole (PubChem CID 149180877) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
PubChem CID149180877
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
SMILESFc1ccccc1C1=CN=C([C@@H]2CCCN2)C1
InChIInChI=1S/C14H15FN2/c15-12-5-2-1-4-11(12)10-8-14(17-9-10)13-6-3-7-16-13/h1-2,4-5,9,13,16H,3,6-8H2/t13-/m0/s1
InChIKeyXAXSHBVDRZGVRS-ZDUSSCGKSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The IUPAC name of 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole (CID 149180877) is 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The canonical SMILES for 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole is Fc1ccccc1C1=CN=C([C@@H]2CCCN2)C1.
What is the InChIKey of 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The InChIKey is XAXSHBVDRZGVRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15FN2/c15-12-5-2-1-4-11(12)10-8-14(17-9-10)13-6-3-7-16-13/h1-2,4-5,9,13,16H,3,6-8H2/t13-/m0/s1.
What are the key properties of 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole has a molecular weight of 230.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole is sourced from PubChem (CID 149180877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).