(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one

C17H14F2O3 — CID 6295005

IUPAC(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C(F)=C(\F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H14F2O3/c1-21-13-7-3-11(4-8-13)15(18)16(19)17(20)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3/b16-15+
InChIKeyFMVCKZBROXJYRJ-FOCLMDBBSA-N
MW304.29 g/mol
LogP4.19
Rot. Bonds5

About (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one

(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 6295005) has the molecular formula C17H14F2O3 and a molecular weight of 304.29 g/mol. Its IUPAC name is (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
PubChem CID6295005
Molecular FormulaC17H14F2O3
Molecular Weight304.29 g/mol
Exact Mass304.09
IUPAC Name(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C(F)=C(\F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H14F2O3/c1-21-13-7-3-11(4-8-13)15(18)16(19)17(20)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3/b16-15+
InChIKeyFMVCKZBROXJYRJ-FOCLMDBBSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 5186455
(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
CID 6037096
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200
butyl (E)-2,3-difluoro-3-(4-methoxyphenyl)prop-2-enoate
CID 100959749
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
(E)-3-(dimethylamino)-2-fluoro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70037826
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
[(Z)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-trimethylsilane
CID 11322461
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
4-methoxybenzoic acid;hydrobromide
CID 172731707
(4-methoxybenzoyl)-λ2-stannane
CID 174742034

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one (CID 6295005) is (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C(F)=C(\F)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is FMVCKZBROXJYRJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H14F2O3/c1-21-13-7-3-11(4-8-13)15(18)16(19)17(20)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3/b16-15+.
What are the key properties of (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one?
(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 304.29 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6295005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).