(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine

C10H20FN — CID 155459355

IUPAC(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
SMILESCN1C[C@H](F)C[C@@H]1CC(C)(C)C
InChIInChI=1S/C10H20FN/c1-10(2,3)6-9-5-8(11)7-12(9)4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyHMMGZNXSUHRIKN-RKDXNWHRSA-N
MW173.27 g/mol
LogP2.46
Rot. Bonds1

About (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine

(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine (PubChem CID 155459355) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
PubChem CID155459355
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
SMILESCN1C[C@H](F)C[C@@H]1CC(C)(C)C
InChIInChI=1S/C10H20FN/c1-10(2,3)6-9-5-8(11)7-12(9)4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyHMMGZNXSUHRIKN-RKDXNWHRSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
The IUPAC name of (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine (CID 155459355) is (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine is CN1C[C@H](F)C[C@@H]1CC(C)(C)C.
What is the InChIKey of (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
The InChIKey is HMMGZNXSUHRIKN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)6-9-5-8(11)7-12(9)4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine?
(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 155459355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).