ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate

C17H15FO3 — CID 150176911

IUPACethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate
SMILESCCOC(=O)CC1=c2ccccc2=C2C=C(F)C=CC2O1
InChIInChI=1S/C17H15FO3/c1-2-20-17(19)10-16-13-6-4-3-5-12(13)14-9-11(18)7-8-15(14)21-16/h3-9,15H,2,10H2,1H3
InChIKeyFKPOATYRXATJMW-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate

ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate (PubChem CID 150176911) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate
PubChem CID150176911
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate
SMILESCCOC(=O)CC1=c2ccccc2=C2C=C(F)C=CC2O1
InChIInChI=1S/C17H15FO3/c1-2-20-17(19)10-16-13-6-4-3-5-12(13)14-9-11(18)7-8-15(14)21-16/h3-9,15H,2,10H2,1H3
InChIKeyFKPOATYRXATJMW-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate?
The IUPAC name of ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate (CID 150176911) is ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate is CCOC(=O)CC1=c2ccccc2=C2C=C(F)C=CC2O1.
What is the InChIKey of ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate?
The InChIKey is FKPOATYRXATJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-20-17(19)10-16-13-6-4-3-5-12(13)14-9-11(18)7-8-15(14)21-16/h3-9,15H,2,10H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate?
ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate has a molecular weight of 286.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-4aH-benzo[c]chromen-6-yl)acetate is sourced from PubChem (CID 150176911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).