methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate

C11H11FO3 — CID 18614917

IUPACmethyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCOC(=O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3
InChIKeyQAYAXMIKHJVIJM-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.69
Rot. Bonds1

About methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate

methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 18614917) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID18614917
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCOC(=O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3
InChIKeyQAYAXMIKHJVIJM-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dihydrocoumarin
CID 660
Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate
CID 26861
3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CID 2723665
2-(2-Methylphenoxy)propanoic acid
CID 165592
3,4-Dihydro-4-methyl-2H-1-benzopyran-2-one
CID 95550
2-(2-Ethylphenoxy)acetic acid
CID 348579
2-Phenoxy-2-phenylacetic acid
CID 18384
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester
CID 39893
Coumarin 3,4-epoxide
CID 126771
(2S)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CID 6933105
3,4-dihydro-2H-1-benzopyran-3-one
CID 11137321
2-O-ethyl 3-O,4-O-dimethyl 2H-chromene-2,3,4-tricarboxylate
CID 11197988

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate (CID 18614917) is methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate is COC(=O)C1CCc2cc(F)ccc2O1.
What is the InChIKey of methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is QAYAXMIKHJVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3.
What are the key properties of methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 210.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 18614917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).