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

C8H5F3O3 — CID 781341

IUPAC3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(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)
InChIKeyVPZXPSZUDWNYGT-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.40
Rot. Bonds2

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

3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid (PubChem CID 781341) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
PubChem CID781341
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(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)
InChIKeyVPZXPSZUDWNYGT-UHFFFAOYSA-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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Related Compounds

(E)-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
CID 781342
(Z)-2-sulfanyl-3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid
CID 88719322
(E)-3-(5-acetylfuran-2-yl)prop-2-enoic acid
CID 2063488
(E)-3-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 67169287
4-[5-(2-carboxyethenyl)furan-2-yl]benzoic acid
CID 171146640
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid
CID 130334856
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]furan-2-yl]prop-2-enoic acid
CID 171136658
(E)-3-[5-[2-cyano-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 71129230
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(4,5-dimethylfuran-2-yl)prop-2-enoic acid
CID 53401722
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enoic acid
CID 4961866

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid (CID 781341) is 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid is O=C(O)C=Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is VPZXPSZUDWNYGT-UHFFFAOYSA-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).
What are the key properties of 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid?
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 3-[5-(trifluoromethyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 781341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).