3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine

C8H13F2NO — CID 130656116

IUPAC3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
SMILESFC1(F)CCN(CCC2CO2)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)2-4-11(6-8)3-1-7-5-12-7/h7H,1-6H2
InChIKeyCHZNHTHJDZODDM-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.12
Rot. Bonds3

About 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine

3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine (PubChem CID 130656116) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
PubChem CID130656116
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
SMILESFC1(F)CCN(CCC2CO2)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)2-4-11(6-8)3-1-7-5-12-7/h7H,1-6H2
InChIKeyCHZNHTHJDZODDM-UHFFFAOYSA-N
XLogP1.12
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
CID 117007578
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
CID 67197404
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
CID 116991614
3,3-difluoro-1-heptylpyrrolidine
CID 174988522
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579
1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
CID 116991618
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
3-(3,3-difluoropiperidin-1-yl)propanal
CID 164657437
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
CID 131212587
2-(3,3-difluoropyrrolidin-1-yl)acetaldehyde;hydrochloride
CID 115017002

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine (CID 130656116) is 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine is FC1(F)CCN(CCC2CO2)C1.
What is the InChIKey of 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
The InChIKey is CHZNHTHJDZODDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)2-4-11(6-8)3-1-7-5-12-7/h7H,1-6H2.
What are the key properties of 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine has a molecular weight of 177.19 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[2-(oxiran-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 130656116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).