ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate

C15H19FO3 — CID 54300866

IUPACethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate
SMILESCCOC(=O)CC1Cc2cc(F)ccc2OC1(C)C
InChIInChI=1S/C15H19FO3/c1-4-18-14(17)9-11-7-10-8-12(16)5-6-13(10)19-15(11,2)3/h5-6,8,11H,4,7,9H2,1-3H3
InChIKeySEBIQLKTXNGFMX-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.11
Rot. Bonds3

About ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate

ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate (PubChem CID 54300866) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate
PubChem CID54300866
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate
SMILESCCOC(=O)CC1Cc2cc(F)ccc2OC1(C)C
InChIInChI=1S/C15H19FO3/c1-4-18-14(17)9-11-7-10-8-12(16)5-6-13(10)19-15(11,2)3/h5-6,8,11H,4,7,9H2,1-3H3
InChIKeySEBIQLKTXNGFMX-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate?
The IUPAC name of ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate (CID 54300866) is ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate is CCOC(=O)CC1Cc2cc(F)ccc2OC1(C)C.
What is the InChIKey of ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate?
The InChIKey is SEBIQLKTXNGFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-4-18-14(17)9-11-7-10-8-12(16)5-6-13(10)19-15(11,2)3/h5-6,8,11H,4,7,9H2,1-3H3.
What are the key properties of ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate?
ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate has a molecular weight of 266.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-3-yl)acetate is sourced from PubChem (CID 54300866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).