6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one

C16H19FO2 — CID 114672216

IUPAC6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
SMILESCC1(C)CCC2(CC1)CC(=O)c1cc(F)ccc1O2
InChIInChI=1S/C16H19FO2/c1-15(2)5-7-16(8-6-15)10-13(18)12-9-11(17)3-4-14(12)19-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDINKBBRBHJILFQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.13
Rot. Bonds

About 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one

6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one (PubChem CID 114672216) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one.

Molecular Properties

Compound Name6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
PubChem CID114672216
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
SMILESCC1(C)CCC2(CC1)CC(=O)c1cc(F)ccc1O2
InChIInChI=1S/C16H19FO2/c1-15(2)5-7-16(8-6-15)10-13(18)12-9-11(17)3-4-14(12)19-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDINKBBRBHJILFQ-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4'-tert-butyl-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672239
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207087
2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672241
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 106825069
1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114672071
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
2-(cyclopropylmethyl)-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672007
6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114672109
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
7-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114674789

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one?
The IUPAC name of 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one (CID 114672216) is 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one.
What is the SMILES notation for 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one?
The canonical SMILES for 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one is CC1(C)CCC2(CC1)CC(=O)c1cc(F)ccc1O2.
What is the InChIKey of 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one?
The InChIKey is DINKBBRBHJILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-15(2)5-7-16(8-6-15)10-13(18)12-9-11(17)3-4-14(12)19-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one?
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one has a molecular weight of 262.32 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one is sourced from PubChem (CID 114672216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).