4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine

C11H22FNO — CID 163972122

IUPAC4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(OC(C)F)CN1C
InChIInChI=1S/C11H22FNO/c1-8(2)5-10-6-11(7-13(10)4)14-9(3)12/h8-11H,5-7H2,1-4H3
InChIKeyUEOVOBIJVQRZLT-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.44
Rot. Bonds4

About 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine

4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 163972122) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID163972122
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(OC(C)F)CN1C
InChIInChI=1S/C11H22FNO/c1-8(2)5-10-6-11(7-13(10)4)14-9(3)12/h8-11H,5-7H2,1-4H3
InChIKeyUEOVOBIJVQRZLT-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine (CID 163972122) is 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CC(OC(C)F)CN1C.
What is the InChIKey of 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is UEOVOBIJVQRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-8(2)5-10-6-11(7-13(10)4)14-9(3)12/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine?
4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 163972122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).