(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine

C10H20FNO — CID 99995010

IUPAC(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
SMILESCCCC[C@@H]1C[C@H](OCCF)CN1
InChIInChI=1S/C10H20FNO/c1-2-3-4-9-7-10(8-12-9)13-6-5-11/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyOBUFODDUGNMYFF-ZJUUUORDSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds6

About (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine

(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine (PubChem CID 99995010) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
PubChem CID99995010
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine
SMILESCCCC[C@@H]1C[C@H](OCCF)CN1
InChIInChI=1S/C10H20FNO/c1-2-3-4-9-7-10(8-12-9)13-6-5-11/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyOBUFODDUGNMYFF-ZJUUUORDSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine?
The IUPAC name of (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine (CID 99995010) is (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine.
What is the SMILES notation for (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine?
The canonical SMILES for (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine is CCCC[C@@H]1C[C@H](OCCF)CN1.
What is the InChIKey of (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine?
The InChIKey is OBUFODDUGNMYFF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-3-4-9-7-10(8-12-9)13-6-5-11/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine?
(2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-butyl-4-(2-fluoroethoxy)pyrrolidine is sourced from PubChem (CID 99995010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).