2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile

C21H12F2N2 — CID 57394641

IUPAC2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C21H12F2N2/c22-17-5-1-15(2-6-17)20-12-19-11-14(13-24)9-10-25(19)21(20)16-3-7-18(23)8-4-16/h1-12H
InChIKeyVMIFDZZZSSOSSZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.42
Rot. Bonds2

About 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile

2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile (PubChem CID 57394641) has the molecular formula C21H12F2N2 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
PubChem CID57394641
Molecular FormulaC21H12F2N2
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C21H12F2N2/c22-17-5-1-15(2-6-17)20-12-19-11-14(13-24)9-10-25(19)21(20)16-3-7-18(23)8-4-16/h1-12H
InChIKeyVMIFDZZZSSOSSZ-UHFFFAOYSA-N
XLogP5.42
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
The IUPAC name of 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile (CID 57394641) is 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
The canonical SMILES for 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile is N#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
The InChIKey is VMIFDZZZSSOSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N2/c22-17-5-1-15(2-6-17)20-12-19-11-14(13-24)9-10-25(19)21(20)16-3-7-18(23)8-4-16/h1-12H.
What are the key properties of 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile?
2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile has a molecular weight of 330.34 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile is sourced from PubChem (CID 57394641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).