2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid

C15H15F3O4 — CID 158351628

IUPAC2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=Cc1ccccc1.O=C(O)C(F)=C(F)F
InChIInChI=1S/C8H8.C4H6O2.C3HF3O2/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;4-1(2(5)6)3(7)8/h2-7H,1H2;1H2,2H3,(H,5,6);(H,7,8)
InChIKeyGSJSCORUZXDUFG-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.13
Rot. Bonds3

About 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid

2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid (PubChem CID 158351628) has the molecular formula C15H15F3O4 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid
PubChem CID158351628
Molecular FormulaC15H15F3O4
Molecular Weight316.28 g/mol
Exact Mass316.09
IUPAC Name2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=Cc1ccccc1.O=C(O)C(F)=C(F)F
InChIInChI=1S/C8H8.C4H6O2.C3HF3O2/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;4-1(2(5)6)3(7)8/h2-7H,1H2;1H2,2H3,(H,5,6);(H,7,8)
InChIKeyGSJSCORUZXDUFG-UHFFFAOYSA-N
XLogP4.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67581817
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CID 159487182
CID 159564409
CID 159564409
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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid (CID 158351628) is 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid is C=C(C)C(=O)O.C=Cc1ccccc1.O=C(O)C(F)=C(F)F.
What is the InChIKey of 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid?
The InChIKey is GSJSCORUZXDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6O2.C3HF3O2/c1-2-8-6-4-3-5-7-8;1-3(2)4(5)6;4-1(2(5)6)3(7)8/h2-7H,1H2;1H2,2H3,(H,5,6);(H,7,8).
What are the key properties of 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid?
2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid has a molecular weight of 316.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid is sourced from PubChem (CID 158351628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).