6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H21FO2 — CID 114714190

IUPAC6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CCC2(CC(O)c3cc(F)ccc3O2)CC1C
InChIInChI=1S/C16H21FO2/c1-10-5-6-16(8-11(10)2)9-14(18)13-7-12(17)3-4-15(13)19-16/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyNIQFZLBQFOMZQW-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.84
Rot. Bonds

About 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114714190) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114714190
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CCC2(CC(O)c3cc(F)ccc3O2)CC1C
InChIInChI=1S/C16H21FO2/c1-10-5-6-16(8-11(10)2)9-14(18)13-7-12(17)3-4-15(13)19-16/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyNIQFZLBQFOMZQW-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4S)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948203
(4R)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948425
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948172
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104948293
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114714190) is 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC1CCC2(CC(O)c3cc(F)ccc3O2)CC1C.
What is the InChIKey of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is NIQFZLBQFOMZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-10-5-6-16(8-11(10)2)9-14(18)13-7-12(17)3-4-15(13)19-16/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3.
What are the key properties of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 264.34 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114714190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).