2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane

C10H20F2O — CID 18938564

IUPAC2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane
SMILESCC(OC(C)C(C)(C)F)C(C)(C)F
InChIInChI=1S/C10H20F2O/c1-7(9(3,4)11)13-8(2)10(5,6)12/h7-8H,1-6H3
InChIKeyZDQCJKUIAHSBRG-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane

2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane (PubChem CID 18938564) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane.

Molecular Properties

Compound Name2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane
PubChem CID18938564
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane
SMILESCC(OC(C)C(C)(C)F)C(C)(C)F
InChIInChI=1S/C10H20F2O/c1-7(9(3,4)11)13-8(2)10(5,6)12/h7-8H,1-6H3
InChIKeyZDQCJKUIAHSBRG-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane?
The IUPAC name of 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane (CID 18938564) is 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane.
What is the SMILES notation for 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane?
The canonical SMILES for 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane is CC(OC(C)C(C)(C)F)C(C)(C)F.
What is the InChIKey of 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane?
The InChIKey is ZDQCJKUIAHSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-7(9(3,4)11)13-8(2)10(5,6)12/h7-8H,1-6H3.
What are the key properties of 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane?
2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane has a molecular weight of 194.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-fluoro-3-methylbutan-2-yl)oxy-2-methylbutane is sourced from PubChem (CID 18938564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).