2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane

C10H19F3O2 — CID 135275647

IUPAC2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane
SMILESCC(C)OCC(C)(C)COCC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-8(2)15-6-9(3,4)5-14-7-10(11,12)13/h8H,5-7H2,1-4H3
InChIKeyRNGFPIHRXVOBRF-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.02
Rot. Bonds6

About 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane

2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 135275647) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane
PubChem CID135275647
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane
SMILESCC(C)OCC(C)(C)COCC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-8(2)15-6-9(3,4)5-14-7-10(11,12)13/h8H,5-7H2,1-4H3
InChIKeyRNGFPIHRXVOBRF-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane
CID 22164487
1-Fluoro-2-(3-propan-2-yloxypropoxy)propane
CID 53816949
1-Butan-2-yloxy-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propane
CID 57915846
1-Ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane
CID 58003278
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-3-methyloxetane
CID 58044452
2-[2,2-Difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
CID 58275588
2-(2,2-Difluoro-3-propan-2-yloxypropoxy)-2-methylpropane
CID 58275624
1,1-Difluoro-1-(3-methoxypropoxy)-2-methylpropane
CID 58422617
Ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane
CID 87765890
1-Ethoxy-1,1,2,2,3,3,3-heptafluoropropane;2-ethoxypropane
CID 88174458
2,2-Dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane
CID 88506311
1-(2,2-Difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane
CID 88575981

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane (CID 135275647) is 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane is CC(C)OCC(C)(C)COCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane?
The InChIKey is RNGFPIHRXVOBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-8(2)15-6-9(3,4)5-14-7-10(11,12)13/h8H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane?
2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 228.25 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-yloxy-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 135275647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).