1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene

C17H19F3O2 — CID 90128805

IUPAC1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene
SMILESCOCCc1cc2ccc(OCC(C)C)c(F)c2c(F)c1F
InChIInChI=1S/C17H19F3O2/c1-10(2)9-22-13-5-4-11-8-12(6-7-21-3)15(18)17(20)14(11)16(13)19/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyXNOUBXMVHPOEBH-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.48
Rot. Bonds6

About 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene

1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene (PubChem CID 90128805) has the molecular formula C17H19F3O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene
PubChem CID90128805
Molecular FormulaC17H19F3O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene
SMILESCOCCc1cc2ccc(OCC(C)C)c(F)c2c(F)c1F
InChIInChI=1S/C17H19F3O2/c1-10(2)9-22-13-5-4-11-8-12(6-7-21-3)15(18)17(20)14(11)16(13)19/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyXNOUBXMVHPOEBH-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene?
The IUPAC name of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene (CID 90128805) is 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene.
What is the SMILES notation for 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene?
The canonical SMILES for 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene is COCCc1cc2ccc(OCC(C)C)c(F)c2c(F)c1F.
What is the InChIKey of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene?
The InChIKey is XNOUBXMVHPOEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O2/c1-10(2)9-22-13-5-4-11-8-12(6-7-21-3)15(18)17(20)14(11)16(13)19/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene?
1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene has a molecular weight of 312.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene is sourced from PubChem (CID 90128805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).