(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C12H24FNO — CID 166984313

IUPAC(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@]1(C)CCCN1CCCF
InChIInChI=1S/C12H24FNO/c1-11(2)15-10-12(3)6-4-8-14(12)9-5-7-13/h11H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyXWRIZLBUVSRMAD-LBPRGKRZSA-N
MW217.33 g/mol
LogP2.63
Rot. Bonds6

About (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 166984313) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID166984313
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@]1(C)CCCN1CCCF
InChIInChI=1S/C12H24FNO/c1-11(2)15-10-12(3)6-4-8-14(12)9-5-7-13/h11H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyXWRIZLBUVSRMAD-LBPRGKRZSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 166984313) is (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@]1(C)CCCN1CCCF.
What is the InChIKey of (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is XWRIZLBUVSRMAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(2)15-10-12(3)6-4-8-14(12)9-5-7-13/h11H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 166984313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).