1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane

C6H8F6O — CID 21062401

IUPAC1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
SMILESCOCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-4(3-13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyYZKIISCGOSALKM-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.76
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane

1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane (PubChem CID 21062401) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
PubChem CID21062401
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
SMILESCOCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-4(3-13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyYZKIISCGOSALKM-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.76
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-methylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane (CID 21062401) is 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane is COCC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane?
The InChIKey is YZKIISCGOSALKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-4(3-13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane?
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane has a molecular weight of 210.12 g/mol, XLogP of 2.76, 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-methylpropane is sourced from PubChem (CID 21062401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).