(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine

C9H18FN — CID 58473063

IUPAC(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
SMILESCC(C)(C)C[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C9H18FN/c1-9(2,3)4-7-5-11-6-8(7)10/h7-8,11H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyFSRXYJQNHMHWTF-SFYZADRCSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds1

About (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine

(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine (PubChem CID 58473063) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
PubChem CID58473063
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
SMILESCC(C)(C)C[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C9H18FN/c1-9(2,3)4-7-5-11-6-8(7)10/h7-8,11H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyFSRXYJQNHMHWTF-SFYZADRCSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine?
The IUPAC name of (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine (CID 58473063) is (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine.
What is the SMILES notation for (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine?
The canonical SMILES for (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine is CC(C)(C)C[C@@H]1CNC[C@@H]1F.
What is the InChIKey of (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine?
The InChIKey is FSRXYJQNHMHWTF-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2,3)4-7-5-11-6-8(7)10/h7-8,11H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine?
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine is sourced from PubChem (CID 58473063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).