(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine

C13H24FNO — CID 155794158

IUPAC(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
SMILESCC(C)(C)OCC1(CN2CC[C@H](F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-12(2,3)16-10-13(5-6-13)9-15-7-4-11(14)8-15/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyBOQMFVNUFFWMGG-NSHDSACASA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds4

About (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine

(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine (PubChem CID 155794158) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
PubChem CID155794158
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
SMILESCC(C)(C)OCC1(CN2CC[C@H](F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-12(2,3)16-10-13(5-6-13)9-15-7-4-11(14)8-15/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyBOQMFVNUFFWMGG-NSHDSACASA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3-Fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 122547217
(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 132226796
3-Fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 132227093
(3S)-3-fluoro-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364499
(3R)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146397827
3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 158958033
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 164879004

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine (CID 155794158) is (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine is CC(C)(C)OCC1(CN2CC[C@H](F)C2)CC1.
What is the InChIKey of (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
The InChIKey is BOQMFVNUFFWMGG-NSHDSACASA-N. The full InChI is InChI=1S/C13H24FNO/c1-12(2,3)16-10-13(5-6-13)9-15-7-4-11(14)8-15/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine?
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine has a molecular weight of 229.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 155794158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).