2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane

C10H19F3O3 — CID 59223653

IUPAC2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane
SMILESCOCCOC[C@@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O3/c1-9(2,3)16-8(10(11,12)13)7-15-6-5-14-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyAUPUDKNMNBKGSD-MRVPVSSYSA-N
MW244.25 g/mol
LogP2.40
Rot. Bonds6

About 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane

2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane (PubChem CID 59223653) has the molecular formula C10H19F3O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane.

Molecular Properties

Compound Name2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane
PubChem CID59223653
Molecular FormulaC10H19F3O3
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Name2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane
SMILESCOCCOC[C@@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O3/c1-9(2,3)16-8(10(11,12)13)7-15-6-5-14-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyAUPUDKNMNBKGSD-MRVPVSSYSA-N
XLogP2.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane?
The IUPAC name of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane (CID 59223653) is 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane.
What is the SMILES notation for 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane?
The canonical SMILES for 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane is COCCOC[C@@H](OC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane?
The InChIKey is AUPUDKNMNBKGSD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19F3O3/c1-9(2,3)16-8(10(11,12)13)7-15-6-5-14-4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane?
2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane has a molecular weight of 244.25 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane is sourced from PubChem (CID 59223653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).