6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol

C12H13FO3 — CID 114714192

IUPAC6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
SMILESOC1CC2(CCOC2)Oc2ccc(F)cc21
InChIInChI=1S/C12H13FO3/c13-8-1-2-11-9(5-8)10(14)6-12(16-11)3-4-15-7-12/h1-2,5,10,14H,3-4,6-7H2
InChIKeyAJNJIGBCWNCUDB-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.80
Rot. Bonds

About 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol

6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol (PubChem CID 114714192) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol.

Molecular Properties

Compound Name6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
PubChem CID114714192
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
SMILESOC1CC2(CCOC2)Oc2ccc(F)cc21
InChIInChI=1S/C12H13FO3/c13-8-1-2-11-9(5-8)10(14)6-12(16-11)3-4-15-7-12/h1-2,5,10,14H,3-4,6-7H2
InChIKeyAJNJIGBCWNCUDB-UHFFFAOYSA-N
XLogP1.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
(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)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 104951617
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(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
(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104948293
(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948172

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol?
The IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol (CID 114714192) is 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol.
What is the SMILES notation for 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol?
The canonical SMILES for 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol is OC1CC2(CCOC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol?
The InChIKey is AJNJIGBCWNCUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-8-1-2-11-9(5-8)10(14)6-12(16-11)3-4-15-7-12/h1-2,5,10,14H,3-4,6-7H2.
What are the key properties of 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol?
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol has a molecular weight of 224.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol is sourced from PubChem (CID 114714192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).