prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate

C13H13FO3 — CID 68654698

IUPACprop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
SMILESC=CCOC(=O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C13H13FO3/c1-2-7-16-13(15)12-5-3-9-8-10(14)4-6-11(9)17-12/h2,4,6,8,12H,1,3,5,7H2
InChIKeyHHOJJTYCKXFBCQ-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.25
Rot. Bonds3

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

prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 68654698) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID68654698
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Nameprop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
SMILESC=CCOC(=O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C13H13FO3/c1-2-7-16-13(15)12-5-3-9-8-10(14)4-6-11(9)17-12/h2,4,6,8,12H,1,3,5,7H2
InChIKeyHHOJJTYCKXFBCQ-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate (CID 68654698) is prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate is C=CCOC(=O)C1CCc2cc(F)ccc2O1.
What is the InChIKey of prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is HHOJJTYCKXFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-2-7-16-13(15)12-5-3-9-8-10(14)4-6-11(9)17-12/h2,4,6,8,12H,1,3,5,7H2.
What are the key properties of prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate?
prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 236.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 68654698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).