3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate

C11H19F3O2 — CID 59594152

IUPAC3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC(C)C(C)C)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-6-10(5,11(12,13)14)9(15)16-8(4)7(2)3/h7-8H,6H2,1-5H3
InChIKeyGGNJPVNHBBCJHG-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.55
Rot. Bonds4

About 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate

3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 59594152) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID59594152
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OC(C)C(C)C)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-6-10(5,11(12,13)14)9(15)16-8(4)7(2)3/h7-8H,6H2,1-5H3
InChIKeyGGNJPVNHBBCJHG-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 88981405
1,1,1,3-tetrafluoropropan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 58789609
methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 20742589
2,2,2-trifluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 23594538
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate
CID 135139140
2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
CID 21063652
tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,2,4-trimethylhexane
CID 169428052
pentyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59126240
1,1-difluoro-2-(3-methylbutan-2-yloxy)-2-oxoethanesulfonic acid
CID 129070703
3-methylbutan-2-yl 2-acetyloxy-2-methylpropanoate
CID 153381905
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
[1-(2-acetyloxy-4-oxoazetidin-1-yl)-1-oxopropan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
CID 67963938

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate (CID 59594152) is 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)OC(C)C(C)C)C(F)(F)F.
What is the InChIKey of 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is GGNJPVNHBBCJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-6-10(5,11(12,13)14)9(15)16-8(4)7(2)3/h7-8H,6H2,1-5H3.
What are the key properties of 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 240.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 59594152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).