2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)

C6H9F3O2Y2 — CID 21063652

IUPAC2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
SMILESCCC(C)(C(=O)O)C(F)(F)F.[Y].[Y]
InChIInChI=1S/C6H9F3O2.2Y/c1-3-5(2,4(10)11)6(7,8)9;;/h3H2,1-2H3,(H,10,11);;
InChIKeyZZNCKMQUIDGPFD-UHFFFAOYSA-N
MW347.94 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)

2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium) (PubChem CID 21063652) has the molecular formula C6H9F3O2Y2 and a molecular weight of 347.94 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium).

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
PubChem CID21063652
Molecular FormulaC6H9F3O2Y2
Molecular Weight347.94 g/mol
Exact Mass347.87
IUPAC Name2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
SMILESCCC(C)(C(=O)O)C(F)(F)F.[Y].[Y]
InChIInChI=1S/C6H9F3O2.2Y/c1-3-5(2,4(10)11)6(7,8)9;;/h3H2,1-2H3,(H,10,11);;
InChIKeyZZNCKMQUIDGPFD-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.94
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanoic acid
CID 162549320
2-ethyl-2,3,3-trimethylbutanedioic acid
CID 54557426
methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 20742589
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473
1-butan-2-yloxyoctane;2-methyl-2-(trifluoromethyl)butanoic acid
CID 91283214
2-fluoro-2-methylbutanoic acid
CID 11366977
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59594152
2-ethyl-2,4-dimethyl-4-(trifluoromethyl)hexanoic acid
CID 90165917
ethanol;2,2,2-trifluoroacetic acid;hydrate
CID 18377865
ethylazanide;2,2,2-trifluoroacetic acid
CID 158033320
2,2,2-trifluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 23594538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)?
The IUPAC name of 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium) (CID 21063652) is 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium).
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium) is CCC(C)(C(=O)O)C(F)(F)F.[Y].[Y].
What is the InChIKey of 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)?
The InChIKey is ZZNCKMQUIDGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2.2Y/c1-3-5(2,4(10)11)6(7,8)9;;/h3H2,1-2H3,(H,10,11);;.
What are the key properties of 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)?
2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium) has a molecular weight of 347.94 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium) is sourced from PubChem (CID 21063652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).