methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate

C12H9FO4 — CID 102547387

IUPACmethyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
SMILESCOC(=O)C12CC1C(=O)c1cc(F)ccc1O2
InChIInChI=1S/C12H9FO4/c1-16-11(15)12-5-8(12)10(14)7-4-6(13)2-3-9(7)17-12/h2-4,8H,5H2,1H3
InChIKeyDPMOBOCMRVWCJX-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.33
Rot. Bonds1

About methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate

methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate (PubChem CID 102547387) has the molecular formula C12H9FO4 and a molecular weight of 236.20 g/mol. Its IUPAC name is methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
PubChem CID102547387
Molecular FormulaC12H9FO4
Molecular Weight236.20 g/mol
Exact Mass236.05
IUPAC Namemethyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
SMILESCOC(=O)C12CC1C(=O)c1cc(F)ccc1O2
InChIInChI=1S/C12H9FO4/c1-16-11(15)12-5-8(12)10(14)7-4-6(13)2-3-9(7)17-12/h2-4,8H,5H2,1H3
InChIKeyDPMOBOCMRVWCJX-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 102547389
methyl (1aS,7aS)-5-bromo-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 98468946
(1aR,7aS)-5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
CID 97034451
(1aS,7aS)-5-methyl-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
CID 98468909
(1aR,7aS)-5-ethyl-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
CID 97034444
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 106825069
1-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)propane-1,2-dione
CID 58859533
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672241
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
dimethyl (1R,2R,11R,12R)-10,13-dioxo-3,20-dioxapentacyclo[10.8.0.02,11.04,9.014,19]icosa-4,6,8,14,16,18-hexaene-1,2-dicarboxylate
CID 101464223

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate?
The IUPAC name of methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate (CID 102547387) is methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate.
What is the SMILES notation for methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate?
The canonical SMILES for methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate is COC(=O)C12CC1C(=O)c1cc(F)ccc1O2.
What is the InChIKey of methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate?
The InChIKey is DPMOBOCMRVWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO4/c1-16-11(15)12-5-8(12)10(14)7-4-6(13)2-3-9(7)17-12/h2-4,8H,5H2,1H3.
What are the key properties of methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate?
methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate has a molecular weight of 236.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate is sourced from PubChem (CID 102547387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).