1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane

C5H5F7O — CID 22164455

IUPAC1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane
SMILESCOC(F)(F)C(F)(CF)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-13-5(11,12)3(7,2-6)4(8,9)10/h2H2,1H3
InChIKeyZXLZQHOUVCDTOV-UHFFFAOYSA-N
MW214.08 g/mol
LogP2.47
Rot. Bonds3

About 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane

1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane (PubChem CID 22164455) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane
PubChem CID22164455
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane
SMILESCOC(F)(F)C(F)(CF)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-13-5(11,12)3(7,2-6)4(8,9)10/h2H2,1H3
InChIKeyZXLZQHOUVCDTOV-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane (CID 22164455) is 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane is COC(F)(F)C(F)(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane?
The InChIKey is ZXLZQHOUVCDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c1-13-5(11,12)3(7,2-6)4(8,9)10/h2H2,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane?
1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane has a molecular weight of 214.08 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(fluoromethyl)-3-methoxypropane is sourced from PubChem (CID 22164455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).