(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone

C15H11F3O — CID 103693764

IUPAC(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCCc1ccccc1C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H11F3O/c1-2-9-5-3-4-6-10(9)15(19)11-7-13(17)14(18)8-12(11)16/h3-8H,2H2,1H3
InChIKeyGPSIJWNXGNSWSM-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.90
Rot. Bonds3

About (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone

(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103693764) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103693764
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCCc1ccccc1C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H11F3O/c1-2-9-5-3-4-6-10(9)15(19)11-7-13(17)14(18)8-12(11)16/h3-8H,2H2,1H3
InChIKeyGPSIJWNXGNSWSM-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
5-(2-ethylbenzoyl)-2-fluorobenzaldehyde
CID 156815648
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-ethylbenzoic acid;tungsten
CID 23518478
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508
bis(2-ethylbenzoate);lead(2+)
CID 101297382
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone (CID 103693764) is (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone is CCc1ccccc1C(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is GPSIJWNXGNSWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c1-2-9-5-3-4-6-10(9)15(19)11-7-13(17)14(18)8-12(11)16/h3-8H,2H2,1H3.
What are the key properties of (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone?
(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 264.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103693764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).