(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

C12H22FNO — CID 170925988

IUPAC(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@H](F)C2)CC1
InChIInChI=1S/C12H22FNO/c1-10(2)15-9-12(4-5-12)8-14-6-3-11(13)7-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGEBBHSBPKIQMTG-NSHDSACASA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds5

About (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 170925988) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID170925988
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@H](F)C2)CC1
InChIInChI=1S/C12H22FNO/c1-10(2)15-9-12(4-5-12)8-14-6-3-11(13)7-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGEBBHSBPKIQMTG-NSHDSACASA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (CID 170925988) is (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is CC(C)OCC1(CN2CC[C@H](F)C2)CC1.
What is the InChIKey of (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is GEBBHSBPKIQMTG-NSHDSACASA-N. The full InChI is InChI=1S/C12H22FNO/c1-10(2)15-9-12(4-5-12)8-14-6-3-11(13)7-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 5 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-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 170925988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).