3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine

C10H18FNO — CID 112564402

IUPAC3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESFC1(CCC2CCCO2)CCNC1
InChIInChI=1S/C10H18FNO/c11-10(5-6-12-8-10)4-3-9-2-1-7-13-9/h9,12H,1-8H2
InChIKeyAXQNZNVBWCPVFH-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.65
Rot. Bonds3

About 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine

3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine (PubChem CID 112564402) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine
PubChem CID112564402
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESFC1(CCC2CCCO2)CCNC1
InChIInChI=1S/C10H18FNO/c11-10(5-6-12-8-10)4-3-9-2-1-7-13-9/h9,12H,1-8H2
InChIKeyAXQNZNVBWCPVFH-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine (CID 112564402) is 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine is FC1(CCC2CCCO2)CCNC1.
What is the InChIKey of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine?
The InChIKey is AXQNZNVBWCPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-10(5-6-12-8-10)4-3-9-2-1-7-13-9/h9,12H,1-8H2.
What are the key properties of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine?
3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine has a molecular weight of 187.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 112564402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).