methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate

C11H12FNO3 — CID 146014124

IUPACmethyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1F)OCCC2N
InChIInChI=1S/C11H12FNO3/c1-15-11(14)7-3-2-6-8(13)4-5-16-10(6)9(7)12/h2-3,8H,4-5,13H2,1H3
InChIKeyZMTAIRURPXMRFD-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.39
Rot. Bonds1

About methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate

methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate (PubChem CID 146014124) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
PubChem CID146014124
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1F)OCCC2N
InChIInChI=1S/C11H12FNO3/c1-15-11(14)7-3-2-6-8(13)4-5-16-10(6)9(7)12/h2-3,8H,4-5,13H2,1H3
InChIKeyZMTAIRURPXMRFD-UHFFFAOYSA-N
XLogP1.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate?
The IUPAC name of methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate (CID 146014124) is methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate.
What is the SMILES notation for methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate?
The canonical SMILES for methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate is COC(=O)c1ccc2c(c1F)OCCC2N.
What is the InChIKey of methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate?
The InChIKey is ZMTAIRURPXMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-15-11(14)7-3-2-6-8(13)4-5-16-10(6)9(7)12/h2-3,8H,4-5,13H2,1H3.
What are the key properties of methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate?
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate is sourced from PubChem (CID 146014124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).