2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane

C10H17F3O3 — CID 10610177

IUPAC2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane
SMILESCC(C)(C)OCCOCCOC(F)=C(F)F
InChIInChI=1S/C10H17F3O3/c1-10(2,3)16-7-5-14-4-6-15-9(13)8(11)12/h4-7H2,1-3H3
InChIKeyHQOMEMNXUUIZKX-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.87
Rot. Bonds7

About 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane

2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane (PubChem CID 10610177) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane
PubChem CID10610177
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane
SMILESCC(C)(C)OCCOCCOC(F)=C(F)F
InChIInChI=1S/C10H17F3O3/c1-10(2,3)16-7-5-14-4-6-15-9(13)8(11)12/h4-7H2,1-3H3
InChIKeyHQOMEMNXUUIZKX-UHFFFAOYSA-N
XLogP2.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane
CID 59205105
2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane
CID 59223646
2-[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
CID 59223647
2-methyl-2-[(2R)-1,1,1-trifluoro-3-propan-2-yloxypropan-2-yl]oxypropane
CID 59223649
2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
CID 59223650
2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane
CID 59223653
2-Methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane
CID 87688853
2-[2-(2,2-Difluoropropoxy)ethoxy]-2-methylpropane
CID 129117775
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 130376330
1-Fluoro-2-methoxy-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
CID 132235642
2-Methyl-2-[2-(trifluoromethoxy)ethoxy]propane
CID 134514091
1,1,1,3,3,3-Hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-yl]oxy-2-(methoxymethyl)propane
CID 140984096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane?
The IUPAC name of 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane (CID 10610177) is 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane.
What is the SMILES notation for 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane?
The canonical SMILES for 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane is CC(C)(C)OCCOCCOC(F)=C(F)F.
What is the InChIKey of 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane?
The InChIKey is HQOMEMNXUUIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3/c1-10(2,3)16-7-5-14-4-6-15-9(13)8(11)12/h4-7H2,1-3H3.
What are the key properties of 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane?
2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane has a molecular weight of 242.24 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]propane is sourced from PubChem (CID 10610177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).