2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine

C11H22FNO — CID 176926913

IUPAC2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCCC(C)OCC1CC(CF)CN1C
InChIInChI=1S/C11H22FNO/c1-4-9(2)14-8-11-5-10(6-12)7-13(11)3/h9-11H,4-8H2,1-3H3
InChIKeyKTWXPBRIFUCLAH-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.09
Rot. Bonds5

About 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine

2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine (PubChem CID 176926913) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
PubChem CID176926913
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCCC(C)OCC1CC(CF)CN1C
InChIInChI=1S/C11H22FNO/c1-4-9(2)14-8-11-5-10(6-12)7-13(11)3/h9-11H,4-8H2,1-3H3
InChIKeyKTWXPBRIFUCLAH-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
The IUPAC name of 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine (CID 176926913) is 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine is CCC(C)OCC1CC(CF)CN1C.
What is the InChIKey of 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
The InChIKey is KTWXPBRIFUCLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-9(2)14-8-11-5-10(6-12)7-13(11)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine?
2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine is sourced from PubChem (CID 176926913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).