1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane

C8H14F4O — CID 10584237

IUPAC1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
SMILESCCCC(C)(CF)OCC(F)(F)F
InChIInChI=1S/C8H14F4O/c1-3-4-7(2,5-9)13-6-8(10,11)12/h3-6H2,1-2H3
InChIKeySMLOXUCOWRSFDL-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.09
Rot. Bonds5

About 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane

1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane (PubChem CID 10584237) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
PubChem CID10584237
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
SMILESCCCC(C)(CF)OCC(F)(F)F
InChIInChI=1S/C8H14F4O/c1-3-4-7(2,5-9)13-6-8(10,11)12/h3-6H2,1-2H3
InChIKeySMLOXUCOWRSFDL-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane (CID 10584237) is 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane is CCCC(C)(CF)OCC(F)(F)F.
What is the InChIKey of 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is SMLOXUCOWRSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-3-4-7(2,5-9)13-6-8(10,11)12/h3-6H2,1-2H3.
What are the key properties of 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane?
1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 202.19 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 10584237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).