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

C13H15FO3 — CID 104951816

IUPAC(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
SMILESO[C@H]1CC2(CCCOC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c14-9-2-3-10-11(15)7-13(17-12(10)6-9)4-1-5-16-8-13/h2-3,6,11,15H,1,4-5,7-8H2/t11-,13?/m0/s1
InChIKeyKYNLROREGHMBCZ-AMGKYWFPSA-N
MW238.26 g/mol
LogP2.19
Rot. Bonds

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

(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol (PubChem CID 104951816) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol.

Molecular Properties

Compound Name(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
PubChem CID104951816
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol
SMILESO[C@H]1CC2(CCCOC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H15FO3/c14-9-2-3-10-11(15)7-13(17-12(10)6-9)4-1-5-16-8-13/h2-3,6,11,15H,1,4-5,7-8H2/t11-,13?/m0/s1
InChIKeyKYNLROREGHMBCZ-AMGKYWFPSA-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
7-fluorospiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 112549056
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
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951727
(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
CID 104951572
(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450797
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)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4R)-7-fluoro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951708

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol?
The IUPAC name of (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol (CID 104951816) is (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol.
What is the SMILES notation for (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol?
The canonical SMILES for (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol is O[C@H]1CC2(CCCOC2)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol?
The InChIKey is KYNLROREGHMBCZ-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H15FO3/c14-9-2-3-10-11(15)7-13(17-12(10)6-9)4-1-5-16-8-13/h2-3,6,11,15H,1,4-5,7-8H2/t11-,13?/m0/s1.
What are the key properties of (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol?
(4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-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 (4S)-7-fluorospiro[3,4-dihydrochromene-2,3'-oxane]-4-ol is sourced from PubChem (CID 104951816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).