(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one

C19H12F4O4 — CID 7947943

IUPAC(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1cc2ccccc2o1
InChIInChI=1S/C19H12F4O4/c20-18(21)25-13-7-5-11(16(10-13)27-19(22)23)6-8-14(24)17-9-12-3-1-2-4-15(12)26-17/h1-10,18-19H/b8-6+
InChIKeyRGROUXJFGMSIGK-SOFGYWHQSA-N
MW380.29 g/mol
LogP5.53
Rot. Bonds7

About (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one

(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one (PubChem CID 7947943) has the molecular formula C19H12F4O4 and a molecular weight of 380.29 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
PubChem CID7947943
Molecular FormulaC19H12F4O4
Molecular Weight380.29 g/mol
Exact Mass380.07
IUPAC Name(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1cc2ccccc2o1
InChIInChI=1S/C19H12F4O4/c20-18(21)25-13-7-5-11(16(10-13)27-19(22)23)6-8-14(24)17-9-12-3-1-2-4-15(12)26-17/h1-10,18-19H/b8-6+
InChIKeyRGROUXJFGMSIGK-SOFGYWHQSA-N
XLogP5.53
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 4-(difluoromethoxy)benzoate
CID 4689372
1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4556919
1-benzofuran-2-yl-[3-(difluoromethoxy)phenyl]methanone
CID 43145532
(E)-1-(1-benzofuran-2-yl)-3-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 11587472
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
1-(1-benzofuran-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
CID 4797263
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
CID 6214918
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193714
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one
CID 51135486
1-(1-benzofuran-2-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
CID 3972941
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one (CID 7947943) is (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one is O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1cc2ccccc2o1.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one?
The InChIKey is RGROUXJFGMSIGK-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H12F4O4/c20-18(21)25-13-7-5-11(16(10-13)27-19(22)23)6-8-14(24)17-9-12-3-1-2-4-15(12)26-17/h1-10,18-19H/b8-6+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one?
(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one has a molecular weight of 380.29 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 7947943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).