3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine

C9H17F2NO — CID 84664732

IUPAC3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine
SMILESCC(F)(F)COCCC1CCNC1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)7-13-5-3-8-2-4-12-6-8/h8,12H,2-7H2,1H3
InChIKeyFVOJINIBDFLTAK-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.66
Rot. Bonds5

About 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine

3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine (PubChem CID 84664732) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine
PubChem CID84664732
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine
SMILESCC(F)(F)COCCC1CCNC1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)7-13-5-3-8-2-4-12-6-8/h8,12H,2-7H2,1H3
InChIKeyFVOJINIBDFLTAK-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methoxyethyl)pyrrolidine
CID 53409233
(1S,5R)-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 66803307
6-(2,2,2-Trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 77169659
(1R,5S)-6-(3,3,3-trifluoropropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 118481576
(1R)-2-ethoxy-1-[(3R,4S)-4-fluoropyrrolidin-3-yl]ethanamine
CID 141041670
(1S)-2-ethoxy-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]ethanamine
CID 141041672
6-(3,3,3-Trifluoropropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 141626879
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 146364731
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
3-(1,1-Difluoro-2-methoxyethyl)pyrrolidine
CID 176121156
3,3-Difluoro-4-methylpyrrolidine;ethane;4-ethyl-3,3-difluorooxolane
CID 177038710
4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine
CID 29077851

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine (CID 84664732) is 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine is CC(F)(F)COCCC1CCNC1.
What is the InChIKey of 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine?
The InChIKey is FVOJINIBDFLTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(10,11)7-13-5-3-8-2-4-12-6-8/h8,12H,2-7H2,1H3.
What are the key properties of 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine?
3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoropropoxy)ethyl]pyrrolidine is sourced from PubChem (CID 84664732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).