1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene

C11H10F6O — CID 58939214

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene
SMILESCOC(c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-7-3-5-8(6-4-7)9(18-2,10(12,13)14)11(15,16)17/h3-6H,1-2H3
InChIKeyOFXHVCLIKDKOKC-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.96
Rot. Bonds2

About 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene

1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene (PubChem CID 58939214) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene
PubChem CID58939214
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene
SMILESCOC(c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-7-3-5-8(6-4-7)9(18-2,10(12,13)14)11(15,16)17/h3-6H,1-2H3
InChIKeyOFXHVCLIKDKOKC-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene (CID 58939214) is 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene is COC(c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene?
The InChIKey is OFXHVCLIKDKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-7-3-5-8(6-4-7)9(18-2,10(12,13)14)11(15,16)17/h3-6H,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene?
1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene has a molecular weight of 272.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-4-methylbenzene is sourced from PubChem (CID 58939214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).