3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine

C11H22FNO — CID 163514850

IUPAC3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CN(C)C(C(C)C)C1F
InChIInChI=1S/C11H22FNO/c1-7(2)11-10(12)9(6-13(11)5)14-8(3)4/h7-11H,6H2,1-5H3
InChIKeyVXXMFTOQIRJROA-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.09
Rot. Bonds3

About 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine

3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine (PubChem CID 163514850) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine
PubChem CID163514850
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CN(C)C(C(C)C)C1F
InChIInChI=1S/C11H22FNO/c1-7(2)11-10(12)9(6-13(11)5)14-8(3)4/h7-11H,6H2,1-5H3
InChIKeyVXXMFTOQIRJROA-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 3-ethyl-2-methyl-2-(3-methylbutyl)-
CID 4199499
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228
(4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 68089704
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
CID 89094451
(2R)-4-(1-fluoroethoxymethyl)-1,2-dimethylpyrrolidine
CID 129108293
4-Fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
CID 129229279
4-Fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
CID 138601807
(2R)-4-(1-fluoroethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 139476962
2-[(2R,3S,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]oxy-N,N-dimethylethanamine
CID 146435756
(2S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518179
(2R)-2-ethyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine?
The IUPAC name of 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine (CID 163514850) is 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine?
The canonical SMILES for 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine is CC(C)OC1CN(C)C(C(C)C)C1F.
What is the InChIKey of 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine?
The InChIKey is VXXMFTOQIRJROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-7(2)11-10(12)9(6-13(11)5)14-8(3)4/h7-11H,6H2,1-5H3.
What are the key properties of 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine?
3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 163514850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).