2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid

C14H15F3O2 — CID 83154745

IUPAC2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(Cc1ccc(C(F)(F)F)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C14H15F3O2/c1-13(12(18)19,10-6-7-10)8-9-2-4-11(5-3-9)14(15,16)17/h2-5,10H,6-8H2,1H3,(H,18,19)
InChIKeyBYXSUOZNXDYNHT-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.75
Rot. Bonds4

About 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid

2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 83154745) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID83154745
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(Cc1ccc(C(F)(F)F)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C14H15F3O2/c1-13(12(18)19,10-6-7-10)8-9-2-4-11(5-3-9)14(15,16)17/h2-5,10H,6-8H2,1H3,(H,18,19)
InChIKeyBYXSUOZNXDYNHT-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-(trifluoromethyl)benzene
CID 83150074
2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid
CID 162238967
2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 67957539
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-ethoxy-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 142389020
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
6,6-dimethyl-7-[4-(trifluoromethyl)phenyl]heptanoic acid
CID 91192334

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid (CID 83154745) is 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid is CC(Cc1ccc(C(F)(F)F)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is BYXSUOZNXDYNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-13(12(18)19,10-6-7-10)8-9-2-4-11(5-3-9)14(15,16)17/h2-5,10H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid?
2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 272.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 83154745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).