(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid

C8H5F3O3 — CID 781342

IUPAC(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(F)(F)F)o1
InChIInChI=1S/C8H5F3O3/c9-8(10,11)6-3-1-5(14-6)2-4-7(12)13/h1-4H,(H,12,13)/b4-2+
InChIKeyVPZXPSZUDWNYGT-DUXPYHPUSA-N
MW206.12 g/mol
LogP2.40
Rot. Bonds2

About (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid

(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid (PubChem CID 781342) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
PubChem CID781342
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(F)(F)F)o1
InChIInChI=1S/C8H5F3O3/c9-8(10,11)6-3-1-5(14-6)2-4-7(12)13/h1-4H,(H,12,13)/b4-2+
InChIKeyVPZXPSZUDWNYGT-DUXPYHPUSA-N
XLogP2.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid (CID 781342) is (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(C(F)(F)F)o1.
What is the InChIKey of (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is VPZXPSZUDWNYGT-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H5F3O3/c9-8(10,11)6-3-1-5(14-6)2-4-7(12)13/h1-4H,(H,12,13)/b4-2+.
What are the key properties of (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 206.12 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 781342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).