(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one

C18H11F9GeO2 — CID 102041821

IUPAC(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one
SMILESO=C(/C=C(/O[Ge](C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H11F9GeO2/c19-16(20,21)28(17(22,23)24,18(25,26)27)30-15(13-9-5-2-6-10-13)11-14(29)12-7-3-1-4-8-12/h1-11H/b15-11+
InChIKeyPKZMSJHWTVKLMU-RVDMUPIBSA-N
MW502.88 g/mol
LogP6.18
Rot. Bonds5

About (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one

(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one (PubChem CID 102041821) has the molecular formula C18H11F9GeO2 and a molecular weight of 502.88 g/mol. Its IUPAC name is (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one
PubChem CID102041821
Molecular FormulaC18H11F9GeO2
Molecular Weight502.88 g/mol
Exact Mass503.98
IUPAC Name(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one
SMILESO=C(/C=C(/O[Ge](C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H11F9GeO2/c19-16(20,21)28(17(22,23)24,18(25,26)27)30-15(13-9-5-2-6-10-13)11-14(29)12-7-3-1-4-8-12/h1-11H/b15-11+
InChIKeyPKZMSJHWTVKLMU-RVDMUPIBSA-N
XLogP6.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.88
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]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

(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one
CID 13085906
4-[(Z)-1-difluoroboranyloxy-3-oxo-3-phenylprop-1-enyl]benzoic acid
CID 122212702
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
(E)-3-cyclopropyl-4,4,4-trifluoro-1-phenylbut-2-en-1-one
CID 177493417
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one
CID 177436392
(E)-3-difluoroboranyloxy-3-[3-[(Z)-1-difluoroboranyloxy-3-oxo-3-[4-(1,2,2-triphenylethenyl)phenyl]prop-1-enyl]-5-[(E)-1-difluoroboranyloxy-3-oxo-3-[4-(1,2,2-triphenylethenyl)phenyl]prop-1-enyl]phenyl]-1-[4-(1,2,2-triphenylethenyl)phenyl]prop-2-en-1-one
CID 177470867
bis((Z)-3-anilino-4,4,4-trifluoro-1-phenylbut-2-en-1-one);dichlorotitanium
CID 11216193
2,2,3,3,4,4,4-heptafluoro-N-(3-oxo-1,3-diphenylprop-1-enyl)butanamide
CID 628724
ethyl (E)-4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate
CID 102449794
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one?
The IUPAC name of (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one (CID 102041821) is (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one?
The canonical SMILES for (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one is O=C(/C=C(/O[Ge](C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one?
The InChIKey is PKZMSJHWTVKLMU-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H11F9GeO2/c19-16(20,21)28(17(22,23)24,18(25,26)27)30-15(13-9-5-2-6-10-13)11-14(29)12-7-3-1-4-8-12/h1-11H/b15-11+.
What are the key properties of (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one?
(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one has a molecular weight of 502.88 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one is sourced from PubChem (CID 102041821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).