ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine

C11H22FNO — CID 177156858

IUPACethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine
SMILESCC.CCC1(F)CCN(C2COC2)C1
InChIInChI=1S/C9H16FNO.C2H6/c1-2-9(10)3-4-11(7-9)8-5-12-6-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyISCBYWNTEAZVJE-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds2

About ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine

ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine (PubChem CID 177156858) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Nameethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine
PubChem CID177156858
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Nameethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine
SMILESCC.CCC1(F)CCN(C2COC2)C1
InChIInChI=1S/C9H16FNO.C2H6/c1-2-9(10)3-4-11(7-9)8-5-12-6-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyISCBYWNTEAZVJE-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine (CID 177156858) is ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine is CC.CCC1(F)CCN(C2COC2)C1.
What is the InChIKey of ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is ISCBYWNTEAZVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO.C2H6/c1-2-9(10)3-4-11(7-9)8-5-12-6-8;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine?
ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-fluoro-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 177156858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).