2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

C11H16F6O2 — CID 2748431

IUPAC2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
SMILESCC(C)(C)C(C)(C)OC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-8(2,3)9(4,5)19-7(18)6(10(12,13)14)11(15,16)17/h6H,1-5H3
InChIKeyOKYAFTPIFYJKMU-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.10
Rot. Bonds2

About 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (PubChem CID 2748431) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
PubChem CID2748431
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
SMILESCC(C)(C)C(C)(C)OC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-8(2,3)9(4,5)19-7(18)6(10(12,13)14)11(15,16)17/h6H,1-5H3
InChIKeyOKYAFTPIFYJKMU-UHFFFAOYSA-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

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Related Compounds

3-methylbutyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748426
1-O-ethyl 3-O-(1,1,1-trifluoro-2-methylpropan-2-yl) 2-ethylpropanedioate
CID 57230566
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
(2R)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 170905684
3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 23235143
3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
CID 134605657
methyl 4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanoate
CID 166696612
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
tert-butyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;hydrochloride
CID 44717552
ethyl 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]oxymethyl]pentanoate
CID 129082252
[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate
CID 91531855

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The IUPAC name of 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CID 2748431) is 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The canonical SMILES for 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is CC(C)(C)C(C)(C)OC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The InChIKey is OKYAFTPIFYJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-8(2,3)9(4,5)19-7(18)6(10(12,13)14)11(15,16)17/h6H,1-5H3.
What are the key properties of 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-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 2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 2748431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).