(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene

C10H11F3O — CID 91459981

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
SMILESCC(C)(Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-9(2,10(11,12)13)14-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyFUZLDOGUDTVOOX-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.41
Rot. Bonds2

About (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene

(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene (PubChem CID 91459981) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
PubChem CID91459981
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
SMILESCC(C)(Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-9(2,10(11,12)13)14-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyFUZLDOGUDTVOOX-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 87537377
CID 87537377
trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
1,1,1,3,3,3-hexafluoro-2-phenoxypropane-2-thiol
CID 144882533
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
2-iodopropan-2-yloxybenzene
CID 147876431
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
propan-2-ol;trifluoromethoxybenzene
CID 161029707
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177
2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene
CID 167432973

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene (CID 91459981) is (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene is CC(C)(Oc1ccccc1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene?
The InChIKey is FUZLDOGUDTVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-9(2,10(11,12)13)14-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene?
(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene has a molecular weight of 204.19 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene is sourced from PubChem (CID 91459981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).