3-(2,2-difluoroethoxymethyl)pyrrolidine

C7H13F2NO — CID 62370685

IUPAC3-(2,2-difluoroethoxymethyl)pyrrolidine
SMILESFC(F)COCC1CCNC1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-11-4-6-1-2-10-3-6/h6-7,10H,1-5H2
InChIKeyUJCPCRGCLUNFFI-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds4

About 3-(2,2-difluoroethoxymethyl)pyrrolidine

3-(2,2-difluoroethoxymethyl)pyrrolidine (PubChem CID 62370685) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxymethyl)pyrrolidine
PubChem CID62370685
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(2,2-difluoroethoxymethyl)pyrrolidine
SMILESFC(F)COCC1CCNC1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-11-4-6-1-2-10-3-6/h6-7,10H,1-5H2
InChIKeyUJCPCRGCLUNFFI-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxymethyl)pyrrolidine?
The IUPAC name of 3-(2,2-difluoroethoxymethyl)pyrrolidine (CID 62370685) is 3-(2,2-difluoroethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(2,2-difluoroethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(2,2-difluoroethoxymethyl)pyrrolidine is FC(F)COCC1CCNC1.
What is the InChIKey of 3-(2,2-difluoroethoxymethyl)pyrrolidine?
The InChIKey is UJCPCRGCLUNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)5-11-4-6-1-2-10-3-6/h6-7,10H,1-5H2.
What are the key properties of 3-(2,2-difluoroethoxymethyl)pyrrolidine?
3-(2,2-difluoroethoxymethyl)pyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxymethyl)pyrrolidine is sourced from PubChem (CID 62370685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).