2-(2-fluoroethoxy)-5,6,9-trimethyldecane

C15H31FO — CID 144978902

IUPAC2-(2-fluoroethoxy)-5,6,9-trimethyldecane
SMILESCC(C)CCC(C)C(C)CCC(C)OCCF
InChIInChI=1S/C15H31FO/c1-12(2)6-7-13(3)14(4)8-9-15(5)17-11-10-16/h12-15H,6-11H2,1-5H3
InChIKeyBYWHOIIOEIFTIK-UHFFFAOYSA-N
MW246.41 g/mol
LogP4.85
Rot. Bonds10

About 2-(2-fluoroethoxy)-5,6,9-trimethyldecane

2-(2-fluoroethoxy)-5,6,9-trimethyldecane (PubChem CID 144978902) has the molecular formula C15H31FO and a molecular weight of 246.41 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-5,6,9-trimethyldecane.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-5,6,9-trimethyldecane
PubChem CID144978902
Molecular FormulaC15H31FO
Molecular Weight246.41 g/mol
Exact Mass246.24
IUPAC Name2-(2-fluoroethoxy)-5,6,9-trimethyldecane
SMILESCC(C)CCC(C)C(C)CCC(C)OCCF
InChIInChI=1S/C15H31FO/c1-12(2)6-7-13(3)14(4)8-9-15(5)17-11-10-16/h12-15H,6-11H2,1-5H3
InChIKeyBYWHOIIOEIFTIK-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-5,6,9-trimethyldecane?
The IUPAC name of 2-(2-fluoroethoxy)-5,6,9-trimethyldecane (CID 144978902) is 2-(2-fluoroethoxy)-5,6,9-trimethyldecane.
What is the SMILES notation for 2-(2-fluoroethoxy)-5,6,9-trimethyldecane?
The canonical SMILES for 2-(2-fluoroethoxy)-5,6,9-trimethyldecane is CC(C)CCC(C)C(C)CCC(C)OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-5,6,9-trimethyldecane?
The InChIKey is BYWHOIIOEIFTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO/c1-12(2)6-7-13(3)14(4)8-9-15(5)17-11-10-16/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-(2-fluoroethoxy)-5,6,9-trimethyldecane?
2-(2-fluoroethoxy)-5,6,9-trimethyldecane has a molecular weight of 246.41 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-5,6,9-trimethyldecane is sourced from PubChem (CID 144978902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).