2,2,2-trifluoroethyl 2-methylbutanoate

C7H11F3O2 — CID 22976397

IUPAC2,2,2-trifluoroethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-3-5(2)6(11)12-4-7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyDVIILYDACVGRMO-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.14
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-methylbutanoate

2,2,2-trifluoroethyl 2-methylbutanoate (PubChem CID 22976397) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-methylbutanoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-methylbutanoate
PubChem CID22976397
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2,2,2-trifluoroethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-3-5(2)6(11)12-4-7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyDVIILYDACVGRMO-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2,2,2-trifluoroethyl 2-methylbutanoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-methylbutanoate (CID 22976397) is 2,2,2-trifluoroethyl 2-methylbutanoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-methylbutanoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-methylbutanoate is CCC(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-methylbutanoate?
The InChIKey is DVIILYDACVGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-3-5(2)6(11)12-4-7(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 2-methylbutanoate?
2,2,2-trifluoroethyl 2-methylbutanoate has a molecular weight of 184.16 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-methylbutanoate is sourced from PubChem (CID 22976397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).