1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one

C24H13Cl2F3O3 — CID 3444153

IUPAC1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C24H13Cl2F3O3/c25-18-6-2-5-17(23(18)26)21-11-12-22(32-21)19(30)9-7-16-8-10-20(31-16)14-3-1-4-15(13-14)24(27,28)29/h1-13H
InChIKeyFVSSNXRXTPKPHC-UHFFFAOYSA-N
MW477.27 g/mol
LogP8.43
Rot. Bonds5

About 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one

1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one (PubChem CID 3444153) has the molecular formula C24H13Cl2F3O3 and a molecular weight of 477.27 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
PubChem CID3444153
Molecular FormulaC24H13Cl2F3O3
Molecular Weight477.27 g/mol
Exact Mass476.02
IUPAC Name1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C24H13Cl2F3O3/c25-18-6-2-5-17(23(18)26)21-11-12-22(32-21)19(30)9-7-16-8-10-20(31-16)14-3-1-4-15(13-14)24(27,28)29/h1-13H
InChIKeyFVSSNXRXTPKPHC-UHFFFAOYSA-N
XLogP8.43
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.27
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 3444003
4-[5-[3-[5-(2,3-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 4710043
(E)-1-(4-ethylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 6287121
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 3124816
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 3283792
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 4022305
N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736164
2-[(Z)-prop-1-enyl]-5-[3-(trifluoromethyl)phenyl]furan
CID 134300663
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 6281613
1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-en-1-one
CID 4709798

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one (CID 3444153) is 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is O=C(C=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one?
The InChIKey is FVSSNXRXTPKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F3O3/c25-18-6-2-5-17(23(18)26)21-11-12-22(32-21)19(30)9-7-16-8-10-20(31-16)14-3-1-4-15(13-14)24(27,28)29/h1-13H.
What are the key properties of 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one?
1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one has a molecular weight of 477.27 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 3444153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).