5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde

C7H5F3O2 — CID 82374141

IUPAC5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(CC(F)(F)F)o1
InChIInChI=1S/C7H5F3O2/c8-7(9,10)3-5-1-2-6(4-11)12-5/h1-2,4H,3H2
InChIKeyLNMBXINMLNKYIS-UHFFFAOYSA-N
MW178.11 g/mol
LogP2.20
Rot. Bonds2

About 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde

5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde (PubChem CID 82374141) has the molecular formula C7H5F3O2 and a molecular weight of 178.11 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde
PubChem CID82374141
Molecular FormulaC7H5F3O2
Molecular Weight178.11 g/mol
Exact Mass178.02
IUPAC Name5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(CC(F)(F)F)o1
InChIInChI=1S/C7H5F3O2/c8-7(9,10)3-5-1-2-6(4-11)12-5/h1-2,4H,3H2
InChIKeyLNMBXINMLNKYIS-UHFFFAOYSA-N
XLogP2.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methylbutyl)furan-2-carbaldehyde
CID 82374143
5-(azidomethyl)furan-2-carbaldehyde
CID 52915712
5-(chloromethyl)furan-2-carbaldehyde;2,5-dimethylfuran
CID 159391992
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
CID 158565928
5-(anilinomethyl)furan-2-carbaldehyde
CID 131968530
5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 13162508
N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide
CID 44754696
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbaldehyde
CID 3252961
5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde
CID 91285216
5-(phenylmethoxymethyl)furan-2-carbaldehyde
CID 4739192
sodium [5-(oxo(113C)methyl)(2,3,4,5-13C4)furan-2-yl](113C)methyl sulfate
CID 71752262

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde (CID 82374141) is 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde is O=Cc1ccc(CC(F)(F)F)o1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde?
The InChIKey is LNMBXINMLNKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2/c8-7(9,10)3-5-1-2-6(4-11)12-5/h1-2,4H,3H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde?
5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde has a molecular weight of 178.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)furan-2-carbaldehyde is sourced from PubChem (CID 82374141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).