2-methyl-2-(3,3,3-trifluoropropoxy)propane

C7H13F3O — CID 58403060

IUPAC2-methyl-2-(3,3,3-trifluoropropoxy)propane
SMILESCC(C)(C)OCCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,3)11-5-4-7(8,9)10/h4-5H2,1-3H3
InChIKeyCYZDQPJWZKNIPY-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-2-(3,3,3-trifluoropropoxy)propane

2-methyl-2-(3,3,3-trifluoropropoxy)propane (PubChem CID 58403060) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoropropoxy)propane.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoropropoxy)propane
PubChem CID58403060
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name2-methyl-2-(3,3,3-trifluoropropoxy)propane
SMILESCC(C)(C)OCCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,3)11-5-4-7(8,9)10/h4-5H2,1-3H3
InChIKeyCYZDQPJWZKNIPY-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
2-Ethoxy-1,1,1-trifluoropropane
CID 53966619
2-(2,2,2-Trifluoroethoxy)butane
CID 14024100
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
3,3-Difluoro-2,2-dimethyloxetane
CID 162535828
3-(Difluoromethyl)-2,2-dimethyloxirane
CID 162535829
2-Methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 2782467
2-Methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10130317
2-(1,1,2,2,3,3,3-Heptafluoropropoxy)-2-methylpropane
CID 10198680
2-Ethoxy-2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane
CID 11065298
2-(1,1,2-Trifluoroethoxy)propane
CID 11159370
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,3,3-trifluoropropoxy)propane?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoropropoxy)propane (CID 58403060) is 2-methyl-2-(3,3,3-trifluoropropoxy)propane.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoropropoxy)propane?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoropropoxy)propane is CC(C)(C)OCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoropropoxy)propane?
The InChIKey is CYZDQPJWZKNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-6(2,3)11-5-4-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 2-methyl-2-(3,3,3-trifluoropropoxy)propane?
2-methyl-2-(3,3,3-trifluoropropoxy)propane 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 2-methyl-2-(3,3,3-trifluoropropoxy)propane is sourced from PubChem (CID 58403060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).