6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one

C14H15FO2 — CID 114672193

IUPAC6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCC1CCC2(CC(=O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C14H15FO2/c1-9-4-5-14(7-9)8-12(16)11-6-10(15)2-3-13(11)17-14/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLRVQTPRNDACOOB-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.35
Rot. Bonds

About 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one

6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 114672193) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID114672193
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCC1CCC2(CC(=O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C14H15FO2/c1-9-4-5-14(7-9)8-12(16)11-6-10(15)2-3-13(11)17-14/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLRVQTPRNDACOOB-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114674789
6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672944
4'-tert-butyl-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672239
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 106825069
6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114672109
1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114672071
6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207087
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672241
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 47001263
2-(cyclopropylmethyl)-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672007

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 114672193) is 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one is CC1CCC2(CC(=O)c3cc(F)ccc3O2)C1.
What is the InChIKey of 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is LRVQTPRNDACOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-9-4-5-14(7-9)8-12(16)11-6-10(15)2-3-13(11)17-14/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 234.27 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 114672193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).