2,2-dimethylpropyl 2,2,2-trifluoroacetate

C7H11F3O2 — CID 522588

IUPAC2,2-dimethylpropyl 2,2,2-trifluoroacetate
SMILESCC(C)(C)COC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3
InChIKeyFWFLFZDXCNIPGS-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.14
Rot. Bonds1

About 2,2-dimethylpropyl 2,2,2-trifluoroacetate

2,2-dimethylpropyl 2,2,2-trifluoroacetate (PubChem CID 522588) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2,2,2-trifluoroacetate
PubChem CID522588
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2,2-dimethylpropyl 2,2,2-trifluoroacetate
SMILESCC(C)(C)COC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3
InChIKeyFWFLFZDXCNIPGS-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2,2,2-trifluoroacetate?
The IUPAC name of 2,2-dimethylpropyl 2,2,2-trifluoroacetate (CID 522588) is 2,2-dimethylpropyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2,2-dimethylpropyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2,2-dimethylpropyl 2,2,2-trifluoroacetate is CC(C)(C)COC(=O)C(F)(F)F.
What is the InChIKey of 2,2-dimethylpropyl 2,2,2-trifluoroacetate?
The InChIKey is FWFLFZDXCNIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 2,2,2-trifluoroacetate?
2,2-dimethylpropyl 2,2,2-trifluoroacetate has a molecular weight of 184.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 522588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).