4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one

C19H24FNO3 — CID 158148421

IUPAC4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCCCC2)c2c(F)cc(OCCN3CCCC3)cc21
InChIInChI=1S/C19H24FNO3/c20-16-13-14(23-11-10-21-8-4-5-9-21)12-15-17(16)19(24-18(15)22)6-2-1-3-7-19/h12-13H,1-11H2
InChIKeyNZNKNLVFUVBHRG-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.63
Rot. Bonds4

About 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one

4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 158148421) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID158148421
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCCCC2)c2c(F)cc(OCCN3CCCC3)cc21
InChIInChI=1S/C19H24FNO3/c20-16-13-14(23-11-10-21-8-4-5-9-21)12-15-17(16)19(24-18(15)22)6-2-1-3-7-19/h12-13H,1-11H2
InChIKeyNZNKNLVFUVBHRG-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-(3-pyrrolidin-1-ylpropyl)spiro[2-benzofuran-3,4'-piperidine]-1-one;4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158776000
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 66783820
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
2-[4-[2-(azepan-1-yl)ethoxy]phenyl]isoindole-1,3-dione
CID 168516681
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide
CID 138594221
2-fluoro-4-(2-methoxyethoxy)-1'-methylspiro[7-oxabicyclo[4.2.0]octa-1(6),2,4-triene-8,4'-piperidine]
CID 166734148
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 81326509
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 66783819
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (CID 158148421) is 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is O=C1OC2(CCCCC2)c2c(F)cc(OCCN3CCCC3)cc21.
What is the InChIKey of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is NZNKNLVFUVBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-16-13-14(23-11-10-21-8-4-5-9-21)12-15-17(16)19(24-18(15)22)6-2-1-3-7-19/h12-13H,1-11H2.
What are the key properties of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 333.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 158148421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).