2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane

C9H14F6O2 — CID 57035139

IUPAC2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane
SMILESCC(COCC(F)(F)F)C(C)OCC(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-6(3-16-4-8(10,11)12)7(2)17-5-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyVPZLCGMWTWIVLM-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.17
Rot. Bonds6

About 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane

2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane (PubChem CID 57035139) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane
PubChem CID57035139
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane
SMILESCC(COCC(F)(F)F)C(C)OCC(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-6(3-16-4-8(10,11)12)7(2)17-5-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyVPZLCGMWTWIVLM-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane (CID 57035139) is 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane is CC(COCC(F)(F)F)C(C)OCC(F)(F)F.
What is the InChIKey of 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane?
The InChIKey is VPZLCGMWTWIVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c1-6(3-16-4-8(10,11)12)7(2)17-5-9(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane?
2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane has a molecular weight of 268.20 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 57035139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).