2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine

C10H20FNO — CID 168942620

IUPAC2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCCC1(COC(C)C)CC(F)CN1
InChIInChI=1S/C10H20FNO/c1-4-10(7-13-8(2)3)5-9(11)6-12-10/h8-9,12H,4-7H2,1-3H3
InChIKeyBXMADXTXDIVAAE-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds4

About 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine

2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 168942620) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID168942620
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCCC1(COC(C)C)CC(F)CN1
InChIInChI=1S/C10H20FNO/c1-4-10(7-13-8(2)3)5-9(11)6-12-10/h8-9,12H,4-7H2,1-3H3
InChIKeyBXMADXTXDIVAAE-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)-2-propylpyrrolidine
CID 79575609
2-(Methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615859
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
4-Fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328264
2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
2-(Difluoromethyl)-2-(ethoxymethyl)pyrrolidine
CID 172329285
2-Ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 176568451
4-Fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
CID 176568719
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638926
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine (CID 168942620) is 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine is CCC1(COC(C)C)CC(F)CN1.
What is the InChIKey of 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is BXMADXTXDIVAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-4-10(7-13-8(2)3)5-9(11)6-12-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine?
2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 168942620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).