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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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).