(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone

C14H7F5O — CID 79749848

IUPAC(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)c(F)c2F)c(F)cc1F
InChIInChI=1S/C14H7F5O/c1-6-4-8(11(17)5-10(6)16)14(20)7-2-3-9(15)13(19)12(7)18/h2-5H,1H3
InChIKeyZIPOSQQFPXEKRR-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.92
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone

(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 79749848) has the molecular formula C14H7F5O and a molecular weight of 286.20 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID79749848
Molecular FormulaC14H7F5O
Molecular Weight286.20 g/mol
Exact Mass286.04
IUPAC Name(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)c(F)c2F)c(F)cc1F
InChIInChI=1S/C14H7F5O/c1-6-4-8(11(17)5-10(6)16)14(20)7-2-3-9(15)13(19)12(7)18/h2-5H,1H3
InChIKeyZIPOSQQFPXEKRR-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone 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

(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 114030596
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone (CID 79749848) is (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone is Cc1cc(C(=O)c2ccc(F)c(F)c2F)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is ZIPOSQQFPXEKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O/c1-6-4-8(11(17)5-10(6)16)14(20)7-2-3-9(15)13(19)12(7)18/h2-5H,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone?
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 286.20 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 79749848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).