2-methylprop-2-enoic acid;trifluoromethylbenzene

C11H11F3O2 — CID 175145896

IUPAC2-methylprop-2-enoic acid;trifluoromethylbenzene
SMILESC=C(C)C(=O)O.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C4H6O2/c8-7(9,10)6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H;1H2,2H3,(H,5,6)
InChIKeyZCNALYAHYFEIGZ-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.35
Rot. Bonds1

About 2-methylprop-2-enoic acid;trifluoromethylbenzene

2-methylprop-2-enoic acid;trifluoromethylbenzene (PubChem CID 175145896) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;trifluoromethylbenzene.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;trifluoromethylbenzene
PubChem CID175145896
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-methylprop-2-enoic acid;trifluoromethylbenzene
SMILESC=C(C)C(=O)O.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C4H6O2/c8-7(9,10)6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H;1H2,2H3,(H,5,6)
InChIKeyZCNALYAHYFEIGZ-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926
ethane;bis(trifluoromethylbenzene)
CID 142912000
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol;bis(2-methylprop-2-enoic acid)
CID 87392148
biphenylene;2-methylprop-2-enoic acid
CID 174864090
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;trifluoromethylbenzene?
The IUPAC name of 2-methylprop-2-enoic acid;trifluoromethylbenzene (CID 175145896) is 2-methylprop-2-enoic acid;trifluoromethylbenzene.
What is the SMILES notation for 2-methylprop-2-enoic acid;trifluoromethylbenzene?
The canonical SMILES for 2-methylprop-2-enoic acid;trifluoromethylbenzene is C=C(C)C(=O)O.FC(F)(F)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;trifluoromethylbenzene?
The InChIKey is ZCNALYAHYFEIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.C4H6O2/c8-7(9,10)6-4-2-1-3-5-6;1-3(2)4(5)6/h1-5H;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;trifluoromethylbenzene?
2-methylprop-2-enoic acid;trifluoromethylbenzene has a molecular weight of 232.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;trifluoromethylbenzene is sourced from PubChem (CID 175145896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).