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

C11H11FO3 — CID 14986536

IUPACmethyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCOC(=O)C1CCOc2ccc(F)cc21
InChIInChI=1S/C11H11FO3/c1-14-11(13)8-4-5-15-10-3-2-7(12)6-9(8)10/h2-3,6,8H,4-5H2,1H3
InChIKeyDCTYBGSQSYPLIR-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.86
Rot. Bonds1

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

methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate (PubChem CID 14986536) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
PubChem CID14986536
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCOC(=O)C1CCOc2ccc(F)cc21
InChIInChI=1S/C11H11FO3/c1-14-11(13)8-4-5-15-10-3-2-7(12)6-9(8)10/h2-3,6,8H,4-5H2,1H3
InChIKeyDCTYBGSQSYPLIR-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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Related Compounds

methyl 6,7-dimethyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102164054
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83754277
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
methyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromene-4-carboxylate
CID 90299087
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
2-amino-N-(7-fluoro-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)propanamide
CID 110478850
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
The IUPAC name of methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate (CID 14986536) is methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
The canonical SMILES for methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate is COC(=O)C1CCOc2ccc(F)cc21.
What is the InChIKey of methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
The InChIKey is DCTYBGSQSYPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-14-11(13)8-4-5-15-10-3-2-7(12)6-9(8)10/h2-3,6,8H,4-5H2,1H3.
What are the key properties of methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate?
methyl 6-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 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate is sourced from PubChem (CID 14986536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).