(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one

C16H9F5O — CID 8832351

IUPAC(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1C(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C16H9F5O/c17-11-6-7-14(18)12(9-11)15(22)8-5-10-3-1-2-4-13(10)16(19,20)21/h1-9H/b8-5+
InChIKeyUFTZENXKXVZION-VMPITWQZSA-N
MW312.24 g/mol
LogP4.88
Rot. Bonds3

About (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 8832351) has the molecular formula C16H9F5O and a molecular weight of 312.24 g/mol. Its IUPAC name is (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID8832351
Molecular FormulaC16H9F5O
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Name(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1C(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C16H9F5O/c17-11-6-7-14(18)12(9-11)15(22)8-5-10-3-1-2-4-13(10)16(19,20)21/h1-9H/b8-5+
InChIKeyUFTZENXKXVZION-VMPITWQZSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-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

Related Compounds

(E)-1-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 8832346
(E)-3-(4-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832402
(E)-1-(2-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9447942
(E)-4-(2,5-difluorophenyl)-4-oxobut-2-enoic acid
CID 10703736
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
(E)-3-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoate
CID 7019569
3-(4-bromophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 66667100
6-fluoro-3-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-benzothiazol-2-one
CID 148622569
(E)-1-(2-methoxy-3-pyridinyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 118567668
(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 162436453
4-chloro-2-[3-[2-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54441739
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 8832351) is (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1C(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is UFTZENXKXVZION-VMPITWQZSA-N. The full InChI is InChI=1S/C16H9F5O/c17-11-6-7-14(18)12(9-11)15(22)8-5-10-3-1-2-4-13(10)16(19,20)21/h1-9H/b8-5+.
What are the key properties of (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one?
(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 312.24 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 8832351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).