7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

C13H15FO3 — CID 112549056

IUPAC7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESOC1CC2(CCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,15H,3-6,8H2
InChIKeyJGVYGHAHTQJERB-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.19
Rot. Bonds

About 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (PubChem CID 112549056) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.

Molecular Properties

Compound Name7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
PubChem CID112549056
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESOC1CC2(CCOCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,15H,3-6,8H2
InChIKeyJGVYGHAHTQJERB-UHFFFAOYSA-N
XLogP2.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 104951617
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
CID 104951816
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951727
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
(4R)-7-fluoro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951708
1'-cyclopropyl-7-fluorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114715692
(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450797
(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
CID 104951572

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The IUPAC name of 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (CID 112549056) is 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.
What is the SMILES notation for 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The canonical SMILES for 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is OC1CC2(CCOCC2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The InChIKey is JGVYGHAHTQJERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,15H,3-6,8H2.
What are the key properties of 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol has a molecular weight of 238.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is sourced from PubChem (CID 112549056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).