(E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one

C14H15F2NO2 — CID 46914779

IUPAC(E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one
SMILESO=C(N1CCOCC1)C(F)(F)/C=C/c1ccccc1
InChIInChI=1S/C14H15F2NO2/c15-14(16,7-6-12-4-2-1-3-5-12)13(18)17-8-10-19-11-9-17/h1-7H,8-11H2/b7-6+
InChIKeyDTXWNOWDYIDQQC-VOTSOKGWSA-N
MW267.28 g/mol
LogP2.19
Rot. Bonds3

About (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one

(E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one (PubChem CID 46914779) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one.

Molecular Properties

Compound Name(E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one
PubChem CID46914779
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one
SMILESO=C(N1CCOCC1)C(F)(F)/C=C/c1ccccc1
InChIInChI=1S/C14H15F2NO2/c15-14(16,7-6-12-4-2-1-3-5-12)13(18)17-8-10-19-11-9-17/h1-7H,8-11H2/b7-6+
InChIKeyDTXWNOWDYIDQQC-VOTSOKGWSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
The IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one (CID 46914779) is (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one.
What is the SMILES notation for (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
The canonical SMILES for (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one is O=C(N1CCOCC1)C(F)(F)/C=C/c1ccccc1.
What is the InChIKey of (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
The InChIKey is DTXWNOWDYIDQQC-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-14(16,7-6-12-4-2-1-3-5-12)13(18)17-8-10-19-11-9-17/h1-7H,8-11H2/b7-6+.
What are the key properties of (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
(E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one has a molecular weight of 267.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-1-morpholin-4-yl-4-phenylbut-3-en-1-one is sourced from PubChem (CID 46914779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).