(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C9H18FNO — CID 176638921

IUPAC(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C9H18FNO/c1-9(2,3)12-6-8-4-7(10)5-11-8/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXLWJLEGLEXHTRT-YUMQZZPRSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds2

About (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 176638921) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID176638921
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C9H18FNO/c1-9(2,3)12-6-8-4-7(10)5-11-8/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXLWJLEGLEXHTRT-YUMQZZPRSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine hydrochloride
CID 118619613
(2R)-2-((tert-butoxy)methyl)pyrrolidine hydrochloride
CID 132327773
(2S)-2-[(tert-butoxy)methyl]pyrrolidine hydrochloride
CID 132327774
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine
CID 2733181
(2S,4S)-2-(ethoxymethyl)-4-fluoro-1-methanidylpyrrolidin-1-ium
CID 57868284
2-(3,3,3-Trifluoropropoxymethyl)pyrrolidine
CID 64564871
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
CID 66596454
(2S,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 68094075
2-(Ethoxymethyl)-4-fluoropyrrolidine
CID 77151097

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 176638921) is (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is XLWJLEGLEXHTRT-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)12-6-8-4-7(10)5-11-8/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 176638921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).