(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine

C12H22FNO — CID 170255743

IUPAC(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
SMILESCC(C)(C)OC1CC(N2CC[C@H](F)C2)C1
InChIInChI=1S/C12H22FNO/c1-12(2,3)15-11-6-10(7-11)14-5-4-9(13)8-14/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m0/s1
InChIKeyQQCKZLNKAXUHHK-WHXUTIOJSA-N
MW215.31 g/mol
LogP2.38
Rot. Bonds2

About (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine

(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine (PubChem CID 170255743) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
PubChem CID170255743
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
SMILESCC(C)(C)OC1CC(N2CC[C@H](F)C2)C1
InChIInChI=1S/C12H22FNO/c1-12(2,3)15-11-6-10(7-11)14-5-4-9(13)8-14/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m0/s1
InChIKeyQQCKZLNKAXUHHK-WHXUTIOJSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
CID 149071581
4-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
(2S)-1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)-2-methylpyrrolidine
CID 168820933
1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
3-fluoro-1-(3-methylcyclopentyl)pyrrolidine
CID 144865924
3-fluoro-1-azabicyclo[3.2.0]heptane
CID 168880868
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-azaspiro[2.4]heptan-7-ol
CID 136533552
3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170257592
(3R)-3-fluoro-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 123801456
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine (CID 170255743) is (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine is CC(C)(C)OC1CC(N2CC[C@H](F)C2)C1.
What is the InChIKey of (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine?
The InChIKey is QQCKZLNKAXUHHK-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(2,3)15-11-6-10(7-11)14-5-4-9(13)8-14/h9-11H,4-8H2,1-3H3/t9-,10?,11?/m0/s1.
What are the key properties of (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine?
(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine has a molecular weight of 215.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine is sourced from PubChem (CID 170255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).