5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one

C12H12F2O2 — CID 65455954

IUPAC5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC(F)F)cccc21
InChIInChI=1S/C12H12F2O2/c13-12(14)7-16-11-6-2-3-8-9(11)4-1-5-10(8)15/h2-3,6,12H,1,4-5,7H2
InChIKeyGEPGPBGJSOQTHW-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.85
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one

5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65455954) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65455954
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC(F)F)cccc21
InChIInChI=1S/C12H12F2O2/c13-12(14)7-16-11-6-2-3-8-9(11)4-1-5-10(8)15/h2-3,6,12H,1,4-5,7H2
InChIKeyGEPGPBGJSOQTHW-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65455954) is 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCC(F)F)cccc21.
What is the InChIKey of 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GEPGPBGJSOQTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-12(14)7-16-11-6-2-3-8-9(11)4-1-5-10(8)15/h2-3,6,12H,1,4-5,7H2.
What are the key properties of 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one?
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 226.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65455954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).