ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]

C17H26FNO — CID 145338251

IUPACethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCC.Cc1ccc2c(c1)CC1(CCN(CCF)CC1)O2
InChIInChI=1S/C15H20FNO.C2H6/c1-12-2-3-14-13(10-12)11-15(18-14)4-7-17(8-5-15)9-6-16;1-2/h2-3,10H,4-9,11H2,1H3;1-2H3
InChIKeyZLPOZECGBQJMHA-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.76
Rot. Bonds2

About ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]

ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 145338251) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Nameethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID145338251
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Nameethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCC.Cc1ccc2c(c1)CC1(CCN(CCF)CC1)O2
InChIInChI=1S/C15H20FNO.C2H6/c1-12-2-3-14-13(10-12)11-15(18-14)4-7-17(8-5-15)9-6-16;1-2/h2-3,10H,4-9,11H2,1H3;1-2H3
InChIKeyZLPOZECGBQJMHA-UHFFFAOYSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 145338251) is ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine] is CC.Cc1ccc2c(c1)CC1(CCN(CCF)CC1)O2.
What is the InChIKey of ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is ZLPOZECGBQJMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.C2H6/c1-12-2-3-14-13(10-12)11-15(18-14)4-7-17(8-5-15)9-6-16;1-2/h2-3,10H,4-9,11H2,1H3;1-2H3.
What are the key properties of ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 279.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 145338251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).