2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine

C13H15F2N — CID 66467633

IUPAC2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine
SMILESFc1ccc(C2(C3CC3)CCCN2)cc1F
InChIInChI=1S/C13H15F2N/c14-11-5-4-10(8-12(11)15)13(9-2-3-9)6-1-7-16-13/h4-5,8-9,16H,1-3,6-7H2
InChIKeyZWLMWPNAYVCGEX-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.95
Rot. Bonds2

About 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine

2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine (PubChem CID 66467633) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine
PubChem CID66467633
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine
SMILESFc1ccc(C2(C3CC3)CCCN2)cc1F
InChIInChI=1S/C13H15F2N/c14-11-5-4-10(8-12(11)15)13(9-2-3-9)6-1-7-16-13/h4-5,8-9,16H,1-3,6-7H2
InChIKeyZWLMWPNAYVCGEX-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine?
The IUPAC name of 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine (CID 66467633) is 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine?
The canonical SMILES for 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine is Fc1ccc(C2(C3CC3)CCCN2)cc1F.
What is the InChIKey of 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine?
The InChIKey is ZWLMWPNAYVCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c14-11-5-4-10(8-12(11)15)13(9-2-3-9)6-1-7-16-13/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine?
2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine has a molecular weight of 223.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,4-difluorophenyl)pyrrolidine is sourced from PubChem (CID 66467633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).