2-fluoro-1,4,8-trimethoxynaphthalene

C13H13FO3 — CID 11253337

IUPAC2-fluoro-1,4,8-trimethoxynaphthalene
SMILESCOc1cc(F)c(OC)c2c(OC)cccc12
InChIInChI=1S/C13H13FO3/c1-15-10-6-4-5-8-11(16-2)7-9(14)13(17-3)12(8)10/h4-7H,1-3H3
InChIKeyDWNONOSKSMSAKO-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.00
Rot. Bonds3

About 2-fluoro-1,4,8-trimethoxynaphthalene

2-fluoro-1,4,8-trimethoxynaphthalene (PubChem CID 11253337) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-fluoro-1,4,8-trimethoxynaphthalene.

Molecular Properties

Compound Name2-fluoro-1,4,8-trimethoxynaphthalene
PubChem CID11253337
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name2-fluoro-1,4,8-trimethoxynaphthalene
SMILESCOc1cc(F)c(OC)c2c(OC)cccc12
InChIInChI=1S/C13H13FO3/c1-15-10-6-4-5-8-11(16-2)7-9(14)13(17-3)12(8)10/h4-7H,1-3H3
InChIKeyDWNONOSKSMSAKO-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,8-tetramethoxynaphthalene
CID 91328449
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1-fluoro-2,3,5-trimethoxybenzene
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(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1,2-difluoro-4,5-dimethoxybenzene
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1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
4,5-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 123546293
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
3-fluoro-4-methoxy-1H-indole
CID 162696038
difluoro-(2-fluoro-6-methoxyphenyl)borane
CID 165159856

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4,8-trimethoxynaphthalene?
The IUPAC name of 2-fluoro-1,4,8-trimethoxynaphthalene (CID 11253337) is 2-fluoro-1,4,8-trimethoxynaphthalene.
What is the SMILES notation for 2-fluoro-1,4,8-trimethoxynaphthalene?
The canonical SMILES for 2-fluoro-1,4,8-trimethoxynaphthalene is COc1cc(F)c(OC)c2c(OC)cccc12.
What is the InChIKey of 2-fluoro-1,4,8-trimethoxynaphthalene?
The InChIKey is DWNONOSKSMSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-15-10-6-4-5-8-11(16-2)7-9(14)13(17-3)12(8)10/h4-7H,1-3H3.
What are the key properties of 2-fluoro-1,4,8-trimethoxynaphthalene?
2-fluoro-1,4,8-trimethoxynaphthalene has a molecular weight of 236.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4,8-trimethoxynaphthalene is sourced from PubChem (CID 11253337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).