1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine

C18H18FN — CID 54010458

IUPAC1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
SMILESFc1ccccc1C=C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H18FN/c19-18-9-5-4-8-17(18)12-16-10-11-20(14-16)13-15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2
InChIKeyKRZCINAELWQWTI-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds3

About 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine

1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine (PubChem CID 54010458) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
PubChem CID54010458
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
SMILESFc1ccccc1C=C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H18FN/c19-18-9-5-4-8-17(18)12-16-10-11-20(14-16)13-15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2
InChIKeyKRZCINAELWQWTI-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine?
The IUPAC name of 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine (CID 54010458) is 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine.
What is the SMILES notation for 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine?
The canonical SMILES for 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine is Fc1ccccc1C=C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine?
The InChIKey is KRZCINAELWQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c19-18-9-5-4-8-17(18)12-16-10-11-20(14-16)13-15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2.
What are the key properties of 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine?
1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine has a molecular weight of 267.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine is sourced from PubChem (CID 54010458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).