methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate

C11H11FO3 — CID 67080260

IUPACmethyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCOC(=O)C1CCOc2cc(F)ccc21
InChIInChI=1S/C11H11FO3/c1-14-11(13)9-4-5-15-10-6-7(12)2-3-8(9)10/h2-3,6,9H,4-5H2,1H3
InChIKeyFFOCBTRXKACQRD-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.86
Rot. Bonds1

About methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate

methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate (PubChem CID 67080260) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
PubChem CID67080260
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCOC(=O)C1CCOc2cc(F)ccc21
InChIInChI=1S/C11H11FO3/c1-14-11(13)9-4-5-15-10-6-7(12)2-3-8(9)10/h2-3,6,9H,4-5H2,1H3
InChIKeyFFOCBTRXKACQRD-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
The IUPAC name of methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate (CID 67080260) is methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate.
What is the SMILES notation for methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
The canonical SMILES for methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate is COC(=O)C1CCOc2cc(F)ccc21.
What is the InChIKey of methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
The InChIKey is FFOCBTRXKACQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-14-11(13)9-4-5-15-10-6-7(12)2-3-8(9)10/h2-3,6,9H,4-5H2,1H3.
What are the key properties of methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate has a molecular weight of 210.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-3,4-dihydro-2H-chromene-4-carboxylate is sourced from PubChem (CID 67080260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).