4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid

C11H11F3O2 — CID 146082222

IUPAC4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
SMILESCC(CC(F)(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H11F3O2/c1-10(9(15)16,7-11(12,13)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJRGWXXWNUHVRDO-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.98
Rot. Bonds3

About 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid

4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid (PubChem CID 146082222) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
PubChem CID146082222
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
SMILESCC(CC(F)(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H11F3O2/c1-10(9(15)16,7-11(12,13)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJRGWXXWNUHVRDO-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid?
The IUPAC name of 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid (CID 146082222) is 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid is CC(CC(F)(F)F)(C(=O)O)c1ccccc1.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid?
The InChIKey is JRGWXXWNUHVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-10(9(15)16,7-11(12,13)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid?
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid has a molecular weight of 232.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 146082222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).