(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone

C14H7F5O2 — CID 63187510

IUPAC(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(F)c(F)c(F)c2)c(F)c1
InChIInChI=1S/C14H7F5O2/c1-21-7-4-8(15)12(9(16)5-7)14(20)6-2-10(17)13(19)11(18)3-6/h2-5H,1H3
InChIKeyZXSNJWFHUUNQJY-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.62
Rot. Bonds3

About (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone

(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 63187510) has the molecular formula C14H7F5O2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
PubChem CID63187510
Molecular FormulaC14H7F5O2
Molecular Weight302.20 g/mol
Exact Mass302.04
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(F)c(F)c(F)c2)c(F)c1
InChIInChI=1S/C14H7F5O2/c1-21-7-4-8(15)12(9(16)5-7)14(20)6-2-10(17)13(19)11(18)3-6/h2-5H,1H3
InChIKeyZXSNJWFHUUNQJY-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-difluoro-4-methoxyphenyl)-(3,4,5-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

(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 114990495
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
CID 18967825
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
1-(2,6-difluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 60965545

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone (CID 63187510) is (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone is COc1cc(F)c(C(=O)c2cc(F)c(F)c(F)c2)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is ZXSNJWFHUUNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O2/c1-21-7-4-8(15)12(9(16)5-7)14(20)6-2-10(17)13(19)11(18)3-6/h2-5H,1H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone?
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 302.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63187510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).