2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine

C9H18FNO — CID 106640244

IUPAC2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCC(F)C1CCCN1
InChIInChI=1S/C9H18FNO/c1-7(2)12-6-8(10)9-4-3-5-11-9/h7-9,11H,3-6H2,1-2H3
InChIKeyCEDPUVCABYLOPP-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine

2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 106640244) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine
PubChem CID106640244
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCC(F)C1CCCN1
InChIInChI=1S/C9H18FNO/c1-7(2)12-6-8(10)9-4-3-5-11-9/h7-9,11H,3-6H2,1-2H3
InChIKeyCEDPUVCABYLOPP-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
2-(1-fluorobutyl)piperidine
CID 105431346
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
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2-[1-(2-pyrrolidin-2-ylethoxy)ethyl]pyrrolidine
CID 118611329
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-[fluoro(pyrrolidin-2-yl)methyl]-3-methylbutan-1-amine
CID 107443610
2-(1-fluoropropyl)azetidine
CID 105427112
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(2S)-2-(dimethoxymethyl)pyrrolidine
CID 11658393

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine (CID 106640244) is 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCC(F)C1CCCN1.
What is the InChIKey of 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is CEDPUVCABYLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)12-6-8(10)9-4-3-5-11-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine?
2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 106640244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).