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

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Related Compounds

5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
CID 71713916
7-methyl-4-methylsulfonyl-1'-(2-pyrrolidin-1-ylethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]
CID 92559990
ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
CID 145338574
3-(7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propanoic acid
CID 82046742
5-chloro-1'-(4,4-diphenylbutyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318086
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
CID 10560055
(8R,9aR)-5'-bromospiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran];(8S,9aS)-5'-methylspiro[1,2,3,4,6,7,9,9a-octahydroquinolizine-8,2'-3H-1-benzofuran];methane
CID 158378765
2-(difluoromethyl)-2,5-dimethyl-3H-1-benzofuran;ethane;methane
CID 145338370
[(2S)-1-(2-acetamido-5-hydroxyphenoxy)-3-(5-methylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-2-yl] 2,2,2-trifluoroacetate
CID 87635888
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528

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).