(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine

C9H18FNO — CID 99995031

IUPAC(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C9H18FNO/c1-7(2)9-5-8(6-11-9)12-4-3-10/h7-9,11H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyQOLRBQSGBKJYCL-BDAKNGLRSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds4

About (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine

(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine (PubChem CID 99995031) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
PubChem CID99995031
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1C[C@@H](OCCF)CN1
InChIInChI=1S/C9H18FNO/c1-7(2)9-5-8(6-11-9)12-4-3-10/h7-9,11H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyQOLRBQSGBKJYCL-BDAKNGLRSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
3-fluoro-N,3-dimethyl-N-[4-(2-methyl-1,3-oxazolidin-2-yl)butan-2-yl]butan-1-amine
CID 123400657
4-Fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
CID 129229279
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
4-Fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
CID 138601807
(2S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518179
(4S)-1-methyl-2-propan-2-yl-4-(4,4,4-trifluorobutoxy)pyrrolidine
CID 162730744
4-Ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 163514846
3-Fluoro-1-methyl-2-propan-2-yl-4-propan-2-yloxypyrrolidine
CID 163514850
4-Ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine
CID 163514852
1-Methyl-2-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 164138405

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine (CID 99995031) is (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine is CC(C)[C@@H]1C[C@@H](OCCF)CN1.
What is the InChIKey of (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine?
The InChIKey is QOLRBQSGBKJYCL-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)9-5-8(6-11-9)12-4-3-10/h7-9,11H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine?
(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 4 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-propan-2-ylpyrrolidine is sourced from PubChem (CID 99995031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).