1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene

C14H9Cl3F2O — CID 134626671

IUPAC1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene
SMILESCOc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1C(F)F
InChIInChI=1S/C14H9Cl3F2O/c1-20-13-3-2-7(4-9(13)14(18)19)8-5-11(16)12(17)6-10(8)15/h2-6,14H,1H3
InChIKeyOSYQPGSMFLQVMG-UHFFFAOYSA-N
MW337.58 g/mol
LogP6.26
Rot. Bonds3

About 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene

1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene (PubChem CID 134626671) has the molecular formula C14H9Cl3F2O and a molecular weight of 337.58 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene
PubChem CID134626671
Molecular FormulaC14H9Cl3F2O
Molecular Weight337.58 g/mol
Exact Mass335.97
IUPAC Name1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene
SMILESCOc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1C(F)F
InChIInChI=1S/C14H9Cl3F2O/c1-20-13-3-2-7(4-9(13)14(18)19)8-5-11(16)12(17)6-10(8)15/h2-6,14H,1H3
InChIKeyOSYQPGSMFLQVMG-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 56.26
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

1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
CID 134628127
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
2-[3-(difluoromethyl)-4-methoxyphenyl]propan-2-amine
CID 117306672
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
2-[3-(difluoromethyl)-4-methoxyphenyl]-2-oxoacetic acid
CID 117331895

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene (CID 134626671) is 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene is COc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1C(F)F.
What is the InChIKey of 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene?
The InChIKey is OSYQPGSMFLQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2O/c1-20-13-3-2-7(4-9(13)14(18)19)8-5-11(16)12(17)6-10(8)15/h2-6,14H,1H3.
What are the key properties of 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene?
1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene has a molecular weight of 337.58 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[3-(difluoromethyl)-4-methoxyphenyl]benzene is sourced from PubChem (CID 134626671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).