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

C13H15FO — CID 58482280

IUPAC6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
SMILESCC1C(C)C12CCOc1ccc(F)cc12
InChIInChI=1S/C13H15FO/c1-8-9(2)13(8)5-6-15-12-4-3-10(14)7-11(12)13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyQUUBOQCXHPPUKN-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.13
Rot. Bonds

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

6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane] (PubChem CID 58482280) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane].

Molecular Properties

Compound Name6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
PubChem CID58482280
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
SMILESCC1C(C)C12CCOc1ccc(F)cc12
InChIInChI=1S/C13H15FO/c1-8-9(2)13(8)5-6-15-12-4-3-10(14)7-11(12)13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyQUUBOQCXHPPUKN-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The IUPAC name of 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane] (CID 58482280) is 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane].
What is the SMILES notation for 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The canonical SMILES for 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane] is CC1C(C)C12CCOc1ccc(F)cc12.
What is the InChIKey of 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The InChIKey is QUUBOQCXHPPUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-8-9(2)13(8)5-6-15-12-4-3-10(14)7-11(12)13/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane] has a molecular weight of 206.26 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane] is sourced from PubChem (CID 58482280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).