3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine

C11H22FN — CID 167679492

IUPAC3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(C(C)(C)F)CCN(C)C1
InChIInChI=1S/C11H22FN/c1-9(2)11(10(3,4)12)6-7-13(5)8-11/h9H,6-8H2,1-5H3
InChIKeyYACMHDBQVGQLGD-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds2

About 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine

3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 167679492) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine
PubChem CID167679492
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(C(C)(C)F)CCN(C)C1
InChIInChI=1S/C11H22FN/c1-9(2)11(10(3,4)12)6-7-13(5)8-11/h9H,6-8H2,1-5H3
InChIKeyYACMHDBQVGQLGD-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine (CID 167679492) is 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine is CC(C)C1(C(C)(C)F)CCN(C)C1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is YACMHDBQVGQLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-9(2)11(10(3,4)12)6-7-13(5)8-11/h9H,6-8H2,1-5H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine?
3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 167679492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).