4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile

C17H15FN2 — CID 168965451

IUPAC4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1C1CCNC1
InChIInChI=1S/C17H15FN2/c18-16-5-3-12(4-6-16)13-1-2-14(10-19)17(9-13)15-7-8-20-11-15/h1-6,9,15,20H,7-8,11H2
InChIKeyDZAMAGHVIWPKSV-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.44
Rot. Bonds2

About 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile

4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile (PubChem CID 168965451) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
PubChem CID168965451
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1C1CCNC1
InChIInChI=1S/C17H15FN2/c18-16-5-3-12(4-6-16)13-1-2-14(10-19)17(9-13)15-7-8-20-11-15/h1-6,9,15,20H,7-8,11H2
InChIKeyDZAMAGHVIWPKSV-UHFFFAOYSA-N
XLogP3.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile (CID 168965451) is 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile is N#Cc1ccc(-c2ccc(F)cc2)cc1C1CCNC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile?
The InChIKey is DZAMAGHVIWPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-16-5-3-12(4-6-16)13-1-2-14(10-19)17(9-13)15-7-8-20-11-15/h1-6,9,15,20H,7-8,11H2.
What are the key properties of 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile?
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile has a molecular weight of 266.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile is sourced from PubChem (CID 168965451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).