(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine

C11H20FNO — CID 178006060

IUPAC(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine
SMILESCC[C@@H]1CN(C2CCOCC2)C[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-2-9-7-13(8-11(9)12)10-3-5-14-6-4-10/h9-11H,2-8H2,1H3/t9-,11+/m1/s1
InChIKeyTVSACRFXAXMPPO-KOLCDFICSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds2

About (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine

(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine (PubChem CID 178006060) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine
PubChem CID178006060
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine
SMILESCC[C@@H]1CN(C2CCOCC2)C[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-2-9-7-13(8-11(9)12)10-3-5-14-6-4-10/h9-11H,2-8H2,1H3/t9-,11+/m1/s1
InChIKeyTVSACRFXAXMPPO-KOLCDFICSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluorooxan-4-yl)-4-methylpiperidine
CID 121366966
(2R)-4-(1-fluoroethoxymethyl)-1,2-dimethylpyrrolidine
CID 129108293
(2R)-4-(1-fluoroethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 139476962
4-Fluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 145493424
1-[(3S,4S)-3-fluorooxan-4-yl]-4-methylpiperidine
CID 145698218
1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine
CID 166799716
(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine
CID 166929391
4-[[(2R)-2-fluoro-4-methylpentoxy]methyl]-1-propan-2-ylpiperidine
CID 168085331
N-butyl-N-ethyl-3-fluoro-4-methyloxan-4-amine
CID 168181102
(3R,4R)-3-fluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 172367383
N-(5-fluoropentyl)-N-propan-2-yloxan-4-amine
CID 121527515
4-(Fluoromethyl)-1-(oxolan-3-yl)piperidine
CID 126793779

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine?
The IUPAC name of (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine (CID 178006060) is (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine?
The canonical SMILES for (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine is CC[C@@H]1CN(C2CCOCC2)C[C@@H]1F.
What is the InChIKey of (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine?
The InChIKey is TVSACRFXAXMPPO-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20FNO/c1-2-9-7-13(8-11(9)12)10-3-5-14-6-4-10/h9-11H,2-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine?
(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 178006060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).