[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

C11H16F6O2 — CID 163136848

IUPAC[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
SMILESC[C@@H](OC(=O)C(C)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H16F6O2/c1-6(8(2,3)4)19-7(18)9(5,10(12,13)14)11(15,16)17/h6H,1-5H3/t6-/m1/s1
InChIKeyIGTOAASMNYJQST-ZCFIWIBFSA-N
MW294.24 g/mol
LogP4.10
Rot. Bonds2

About [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate

[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (PubChem CID 163136848) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
PubChem CID163136848
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
SMILESC[C@@H](OC(=O)C(C)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H16F6O2/c1-6(8(2,3)4)19-7(18)9(5,10(12,13)14)11(15,16)17/h6H,1-5H3/t6-/m1/s1
InChIKeyIGTOAASMNYJQST-ZCFIWIBFSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 71673102
tert-butyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672018
[(2R)-3,3-dimethylbutan-2-yl] (2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 162812992
3-(2,2-dimethylpropanoyloxy)-2,2-difluorobutanoic acid
CID 164747254
bis(3,3-dimethylbutan-2-yl) pentanedioate
CID 87993219
3,3-dimethylbutan-2-yloxycarbonyl acetate
CID 12601439
[(2S)-3,3,4,4,4-pentafluorobutan-2-yl] 2-methylpropanoate
CID 153060888
[1-(3,3-dimethylbutan-2-yloxy)-1-oxopropan-2-yl] 2-methylpropanoate
CID 157440334
propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798173
1,1,1-trifluoro-2,2-dimethyl-4-sulfanylpentan-3-one
CID 130457072
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59594152
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The IUPAC name of [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (CID 163136848) is [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.
What is the SMILES notation for [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The canonical SMILES for [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is C[C@@H](OC(=O)C(C)(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The InChIKey is IGTOAASMNYJQST-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-6(8(2,3)4)19-7(18)9(5,10(12,13)14)11(15,16)17/h6H,1-5H3/t6-/m1/s1.
What are the key properties of [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
[(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate has a molecular weight of 294.24 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethylbutan-2-yl] 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 163136848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).