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

C10H20FNO — CID 102568648

IUPAC4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(OCCF)CN1
InChIInChI=1S/C10H20FNO/c1-8(2)5-9-6-10(7-12-9)13-4-3-11/h8-10,12H,3-7H2,1-2H3
InChIKeyZKFCTYSSELMLLS-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds5

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

4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine (PubChem CID 102568648) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
PubChem CID102568648
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(OCCF)CN1
InChIInChI=1S/C10H20FNO/c1-8(2)5-9-6-10(7-12-9)13-4-3-11/h8-10,12H,3-7H2,1-2H3
InChIKeyZKFCTYSSELMLLS-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine (CID 102568648) is 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CC(OCCF)CN1.
What is the InChIKey of 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is ZKFCTYSSELMLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)5-9-6-10(7-12-9)13-4-3-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine?
4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 102568648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).