2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate

C8H10F6O3 — CID 58312175

IUPAC2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILESCC(C)COC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h4,16H,3H2,1-2H3
InChIKeyHHVSLNXLKOHEGN-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.04
Rot. Bonds3

About 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate

2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (PubChem CID 58312175) has the molecular formula C8H10F6O3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
PubChem CID58312175
Molecular FormulaC8H10F6O3
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILESCC(C)COC(=O)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h4,16H,3H2,1-2H3
InChIKeyHHVSLNXLKOHEGN-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The IUPAC name of 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (CID 58312175) is 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The canonical SMILES for 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate is CC(C)COC(=O)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
The InChIKey is HHVSLNXLKOHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O3/c1-4(2)3-17-5(15)6(16,7(9,10)11)8(12,13)14/h4,16H,3H2,1-2H3.
What are the key properties of 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate?
2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate has a molecular weight of 268.15 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 58312175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).