3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine

C11H22FNO — CID 155484884

IUPAC3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1(F)CCN(C(C)C)C1
InChIInChI=1S/C11H22FNO/c1-9(2)13-6-5-11(12,7-13)8-14-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyPTABFMNUTFRQCP-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds4

About 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine

3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 155484884) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine
PubChem CID155484884
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1(F)CCN(C(C)C)C1
InChIInChI=1S/C11H22FNO/c1-9(2)13-6-5-11(12,7-13)8-14-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyPTABFMNUTFRQCP-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine (CID 155484884) is 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1(F)CCN(C(C)C)C1.
What is the InChIKey of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is PTABFMNUTFRQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9(2)13-6-5-11(12,7-13)8-14-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine?
3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 155484884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).