3-[(2,5-difluorophenyl)methylidene]pyrrolidine

C11H11F2N — CID 79879908

IUPAC3-[(2,5-difluorophenyl)methylidene]pyrrolidine
SMILESFc1ccc(F)c(C=C2CCNC2)c1
InChIInChI=1S/C11H11F2N/c12-10-1-2-11(13)9(6-10)5-8-3-4-14-7-8/h1-2,5-6,14H,3-4,7H2
InChIKeyVKLQERGNDURCSV-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.34
Rot. Bonds1

About 3-[(2,5-difluorophenyl)methylidene]pyrrolidine

3-[(2,5-difluorophenyl)methylidene]pyrrolidine (PubChem CID 79879908) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylidene]pyrrolidine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylidene]pyrrolidine
PubChem CID79879908
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name3-[(2,5-difluorophenyl)methylidene]pyrrolidine
SMILESFc1ccc(F)c(C=C2CCNC2)c1
InChIInChI=1S/C11H11F2N/c12-10-1-2-11(13)9(6-10)5-8-3-4-14-7-8/h1-2,5-6,14H,3-4,7H2
InChIKeyVKLQERGNDURCSV-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methylidene]pyrrolidine?
The IUPAC name of 3-[(2,5-difluorophenyl)methylidene]pyrrolidine (CID 79879908) is 3-[(2,5-difluorophenyl)methylidene]pyrrolidine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylidene]pyrrolidine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylidene]pyrrolidine is Fc1ccc(F)c(C=C2CCNC2)c1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylidene]pyrrolidine?
The InChIKey is VKLQERGNDURCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-10-1-2-11(13)9(6-10)5-8-3-4-14-7-8/h1-2,5-6,14H,3-4,7H2.
What are the key properties of 3-[(2,5-difluorophenyl)methylidene]pyrrolidine?
3-[(2,5-difluorophenyl)methylidene]pyrrolidine has a molecular weight of 195.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylidene]pyrrolidine is sourced from PubChem (CID 79879908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).