1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine

C10H20FN — CID 76739544

IUPAC1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCCN1CCF
InChIInChI=1S/C10H20FN/c1-9(2)8-10-4-3-6-12(10)7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyLAQVHMWDHOBXMG-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine

1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 76739544) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID76739544
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CCCN1CCF
InChIInChI=1S/C10H20FN/c1-9(2)8-10-4-3-6-12(10)7-5-11/h9-10H,3-8H2,1-2H3
InChIKeyLAQVHMWDHOBXMG-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine (CID 76739544) is 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is LAQVHMWDHOBXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2)8-10-4-3-6-12(10)7-5-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine?
1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 76739544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).