1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene

C16H19FO — CID 10729118

IUPAC1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene
SMILESCC(C)(C)OCC(F)c1cccc2ccccc12
InChIInChI=1S/C16H19FO/c1-16(2,3)18-11-15(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3
InChIKeyXSDXOYUOSKAMCU-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.67
Rot. Bonds3

About 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene

1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene (PubChem CID 10729118) has the molecular formula C16H19FO and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene.

Molecular Properties

Compound Name1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene
PubChem CID10729118
Molecular FormulaC16H19FO
Molecular Weight246.33 g/mol
Exact Mass246.14
IUPAC Name1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene
SMILESCC(C)(C)OCC(F)c1cccc2ccccc12
InChIInChI=1S/C16H19FO/c1-16(2,3)18-11-15(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3
InChIKeyXSDXOYUOSKAMCU-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene?
The IUPAC name of 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene (CID 10729118) is 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene.
What is the SMILES notation for 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene?
The canonical SMILES for 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene is CC(C)(C)OCC(F)c1cccc2ccccc12.
What is the InChIKey of 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene?
The InChIKey is XSDXOYUOSKAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-16(2,3)18-11-15(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3.
What are the key properties of 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene?
1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene has a molecular weight of 246.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene is sourced from PubChem (CID 10729118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).