5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene

C12H13FO2 — CID 174850674

IUPAC5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene
SMILESCOc1cc(F)c2c(c1)=CC(OC)CC=2
InChIInChI=1S/C12H13FO2/c1-14-9-3-4-11-8(5-9)6-10(15-2)7-12(11)13/h4-7,9H,3H2,1-2H3
InChIKeyTWGMXFSNIBDIFF-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.81
Rot. Bonds2

About 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene

5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene (PubChem CID 174850674) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene
PubChem CID174850674
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene
SMILESCOc1cc(F)c2c(c1)=CC(OC)CC=2
InChIInChI=1S/C12H13FO2/c1-14-9-3-4-11-8(5-9)6-10(15-2)7-12(11)13/h4-7,9H,3H2,1-2H3
InChIKeyTWGMXFSNIBDIFF-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene?
The IUPAC name of 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene (CID 174850674) is 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene?
The canonical SMILES for 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene is COc1cc(F)c2c(c1)=CC(OC)CC=2.
What is the InChIKey of 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene?
The InChIKey is TWGMXFSNIBDIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-14-9-3-4-11-8(5-9)6-10(15-2)7-12(11)13/h4-7,9H,3H2,1-2H3.
What are the key properties of 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene?
5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene has a molecular weight of 208.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,7-dimethoxy-2,3-dihydronaphthalene is sourced from PubChem (CID 174850674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).