2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate

C8H13F3O2 — CID 91721712

IUPAC2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate
SMILESCC(C)C(C)(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-5(2)7(3,4)13-6(12)8(9,10)11/h5H,1-4H3
InChIKeyJWLILWZOXANIKH-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.53
Rot. Bonds2

About 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate

2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate (PubChem CID 91721712) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate
PubChem CID91721712
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate
SMILESCC(C)C(C)(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-5(2)7(3,4)13-6(12)8(9,10)11/h5H,1-4H3
InChIKeyJWLILWZOXANIKH-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate (CID 91721712) is 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate is CC(C)C(C)(C)OC(=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is JWLILWZOXANIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-5(2)7(3,4)13-6(12)8(9,10)11/h5H,1-4H3.
What are the key properties of 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate?
2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 198.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).