(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine

C9H18FNO — CID 99995008

IUPAC(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
SMILESCCC[C@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C9H18FNO/c1-2-3-8-6-9(7-11-8)12-5-4-10/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyFKQFCGFLYOHGQQ-DTWKUNHWSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds5

About (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine

(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine (PubChem CID 99995008) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
PubChem CID99995008
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine
SMILESCCC[C@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C9H18FNO/c1-2-3-8-6-9(7-11-8)12-5-4-10/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyFKQFCGFLYOHGQQ-DTWKUNHWSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
The IUPAC name of (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine (CID 99995008) is (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine.
What is the SMILES notation for (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
The canonical SMILES for (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine is CCC[C@H]1C[C@@H](OCCF)CN1.
What is the InChIKey of (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
The InChIKey is FKQFCGFLYOHGQQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-3-8-6-9(7-11-8)12-5-4-10/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine?
(2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-fluoroethoxy)-2-propylpyrrolidine is sourced from PubChem (CID 99995008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).