(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine

C10H20FN — CID 58279607

IUPAC(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine
SMILESCCN1C[C@H](F)C[C@H]1CC(C)C
InChIInChI=1S/C10H20FN/c1-4-12-7-9(11)6-10(12)5-8(2)3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyQDDUUETZSSWNKU-NXEZZACHSA-N
MW173.27 g/mol
LogP2.46
Rot. Bonds3

About (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine

(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine (PubChem CID 58279607) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine
PubChem CID58279607
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine
SMILESCCN1C[C@H](F)C[C@H]1CC(C)C
InChIInChI=1S/C10H20FN/c1-4-12-7-9(11)6-10(12)5-8(2)3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyQDDUUETZSSWNKU-NXEZZACHSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine (CID 58279607) is (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine is CCN1C[C@H](F)C[C@H]1CC(C)C.
What is the InChIKey of (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine?
The InChIKey is QDDUUETZSSWNKU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-12-7-9(11)6-10(12)5-8(2)3/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine?
(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 58279607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).