1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane

C6H5F9O — CID 87600988

IUPAC1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane
SMILESCOCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-16-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyGQFOMMUXPKPXNP-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.31
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane

1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane (PubChem CID 87600988) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane
PubChem CID87600988
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane
SMILESCOCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-16-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyGQFOMMUXPKPXNP-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane (CID 87600988) is 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane is COCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane?
The InChIKey is GQFOMMUXPKPXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-16-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane?
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane has a molecular weight of 264.09 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane is sourced from PubChem (CID 87600988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).