(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol

C16H21FO2 — CID 104948441

IUPAC(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
SMILESO[C@@H]1CC2(CCCCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H21FO2/c17-12-6-7-15-13(10-12)14(18)11-16(19-15)8-4-2-1-3-5-9-16/h6-7,10,14,18H,1-5,8-9,11H2/t14-/m1/s1
InChIKeyMLIQXHCWPVWAML-CQSZACIVSA-N
MW264.34 g/mol
LogP4.12
Rot. Bonds

About (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol

(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol (PubChem CID 104948441) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol.

Molecular Properties

Compound Name(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
PubChem CID104948441
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
SMILESO[C@@H]1CC2(CCCCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H21FO2/c17-12-6-7-15-13(10-12)14(18)11-16(19-15)8-4-2-1-3-5-9-16/h6-7,10,14,18H,1-5,8-9,11H2/t14-/m1/s1
InChIKeyMLIQXHCWPVWAML-CQSZACIVSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol with MolForge

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Related Compounds

6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
(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
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948172
(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948042
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol?
The IUPAC name of (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol (CID 104948441) is (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol.
What is the SMILES notation for (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol?
The canonical SMILES for (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol is O[C@@H]1CC2(CCCCCCC2)Oc2ccc(F)cc21.
What is the InChIKey of (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol?
The InChIKey is MLIQXHCWPVWAML-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21FO2/c17-12-6-7-15-13(10-12)14(18)11-16(19-15)8-4-2-1-3-5-9-16/h6-7,10,14,18H,1-5,8-9,11H2/t14-/m1/s1.
What are the key properties of (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol?
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol has a molecular weight of 264.34 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol is sourced from PubChem (CID 104948441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).