3-(3,4-difluorophenyl)pyrrolidine

C10H11F2N — CID 23130853

IUPAC3-(3,4-difluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCNC2)cc1F
InChIInChI=1S/C10H11F2N/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyKVTILWXFURUWHL-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.04
Rot. Bonds1

About 3-(3,4-difluorophenyl)pyrrolidine

3-(3,4-difluorophenyl)pyrrolidine (PubChem CID 23130853) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)pyrrolidine
PubChem CID23130853
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name3-(3,4-difluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCNC2)cc1F
InChIInChI=1S/C10H11F2N/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyKVTILWXFURUWHL-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)pyrrolidine?
The IUPAC name of 3-(3,4-difluorophenyl)pyrrolidine (CID 23130853) is 3-(3,4-difluorophenyl)pyrrolidine.
What is the SMILES notation for 3-(3,4-difluorophenyl)pyrrolidine?
The canonical SMILES for 3-(3,4-difluorophenyl)pyrrolidine is Fc1ccc(C2CCNC2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)pyrrolidine?
The InChIKey is KVTILWXFURUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 3-(3,4-difluorophenyl)pyrrolidine?
3-(3,4-difluorophenyl)pyrrolidine has a molecular weight of 183.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)pyrrolidine is sourced from PubChem (CID 23130853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).