2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane

C15H31FO2 — CID 134445561

IUPAC2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(OC(C)(C)C)C(C)(C)C(C)(C)OC(C)F
InChIInChI=1S/C15H31FO2/c1-10-12(18-13(3,4)5)14(6,7)15(8,9)17-11(2)16/h11-12H,10H2,1-9H3
InChIKeyJGNFJDXDUFKBCE-UHFFFAOYSA-N
MW262.41 g/mol
LogP4.72
Rot. Bonds6

About 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane

2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 134445561) has the molecular formula C15H31FO2 and a molecular weight of 262.41 g/mol. Its IUPAC name is 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID134445561
Molecular FormulaC15H31FO2
Molecular Weight262.41 g/mol
Exact Mass262.23
IUPAC Name2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(OC(C)(C)C)C(C)(C)C(C)(C)OC(C)F
InChIInChI=1S/C15H31FO2/c1-10-12(18-13(3,4)5)14(6,7)15(8,9)17-11(2)16/h11-12H,10H2,1-9H3
InChIKeyJGNFJDXDUFKBCE-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane (CID 134445561) is 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane is CCC(OC(C)(C)C)C(C)(C)C(C)(C)OC(C)F.
What is the InChIKey of 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is JGNFJDXDUFKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO2/c1-10-12(18-13(3,4)5)14(6,7)15(8,9)17-11(2)16/h11-12H,10H2,1-9H3.
What are the key properties of 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane?
2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 262.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 134445561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).