2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine

C16H16ClF2NO — CID 69431795

IUPAC2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
SMILESFc1ccc(F)c(CC(c2ccco2)C2CCCN2)c1Cl
InChIInChI=1S/C16H16ClF2NO/c17-16-10(12(18)5-6-13(16)19)9-11(14-3-1-7-20-14)15-4-2-8-21-15/h2,4-6,8,11,14,20H,1,3,7,9H2
InChIKeyXOUIIPXGPPPAQL-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.29
Rot. Bonds4

About 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine

2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine (PubChem CID 69431795) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
PubChem CID69431795
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine
SMILESFc1ccc(F)c(CC(c2ccco2)C2CCCN2)c1Cl
InChIInChI=1S/C16H16ClF2NO/c17-16-10(12(18)5-6-13(16)19)9-11(14-3-1-7-20-14)15-4-2-8-21-15/h2,4-6,8,11,14,20H,1,3,7,9H2
InChIKeyXOUIIPXGPPPAQL-UHFFFAOYSA-N
XLogP4.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine (CID 69431795) is 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine is Fc1ccc(F)c(CC(c2ccco2)C2CCCN2)c1Cl.
What is the InChIKey of 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
The InChIKey is XOUIIPXGPPPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c17-16-10(12(18)5-6-13(16)19)9-11(14-3-1-7-20-14)15-4-2-8-21-15/h2,4-6,8,11,14,20H,1,3,7,9H2.
What are the key properties of 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine?
2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine has a molecular weight of 311.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-3,6-difluorophenyl)-1-(furan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 69431795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).