1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane

C7H13F3O — CID 20782610

IUPAC1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2)11-6(3,4)7(8,9)10/h5H,1-4H3
InChIKeyPHCDDILJSVXKRR-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds2

About 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane

1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane (PubChem CID 20782610) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane
PubChem CID20782610
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2)11-6(3,4)7(8,9)10/h5H,1-4H3
InChIKeyPHCDDILJSVXKRR-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Difluormethyl-ather
CID 10464348
Ethoxyhex a-fluorobutane
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2-Ethoxy-1,1,1-trifluoropropane
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1,1-Difluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 117933256
2-(2,2,2-Trifluoroethoxy)butane
CID 14024100
2-(Difluoromethoxy)propane
CID 14400534
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
1,1-Difluoro-2-(2-methylbutan-2-yloxy)cyclopropane
CID 45090819
3-(Difluoromethyl)-2,2-dimethyloxirane
CID 162535829
2-Ethoxy-2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane
CID 11065298
2-(1,1,2-Trifluoroethoxy)propane
CID 11159370
Propane, 1,1,2,2-tetrafluoro-3-(1-methylethoxy)-
CID 13201517

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane?
The IUPAC name of 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane (CID 20782610) is 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane is CC(C)OC(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane?
The InChIKey is PHCDDILJSVXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-5(2)11-6(3,4)7(8,9)10/h5H,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane?
1,1,1-trifluoro-2-methyl-2-propan-2-yloxypropane has a molecular weight of 170.17 g/mol, XLogP of 2.75, 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-methyl-2-propan-2-yloxypropane is sourced from PubChem (CID 20782610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).