(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one

C20H18F3NO3 — CID 8684935

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H18F3NO3/c21-16-13-15(5-7-17(16)24-9-11-26-12-10-24)18(25)8-6-14-3-1-2-4-19(14)27-20(22)23/h1-8,13,20H,9-12H2/b8-6+
InChIKeyOECMDWHXVBPCTI-SOFGYWHQSA-N
MW377.36 g/mol
LogP4.16
Rot. Bonds6

About (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one

(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 8684935) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID8684935
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H18F3NO3/c21-16-13-15(5-7-17(16)24-9-11-26-12-10-24)18(25)8-6-14-3-1-2-4-19(14)27-20(22)23/h1-8,13,20H,9-12H2/b8-6+
InChIKeyOECMDWHXVBPCTI-SOFGYWHQSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.16
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

3-[2-(difluoromethoxy)phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 4800632
3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 71898468
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 51424205
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2,4-dimorpholin-4-ylphenyl)prop-2-enamide
CID 16598411
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 8684941
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 8684945
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8684982
1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(5-methylsulfanylthiophen-2-yl)prop-2-en-1-one
CID 126814441
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 71844078
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47006164
N-[3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 7947701

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 8684935) is (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is OECMDWHXVBPCTI-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H18F3NO3/c21-16-13-15(5-7-17(16)24-9-11-26-12-10-24)18(25)8-6-14-3-1-2-4-19(14)27-20(22)23/h1-8,13,20H,9-12H2/b8-6+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 377.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 8684935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).