1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene

C13H8Cl3FO — CID 134620248

IUPAC1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1F
InChIInChI=1S/C13H8Cl3FO/c1-18-11-4-2-3-8(13(11)17)7-5-9(14)12(16)10(15)6-7/h2-6H,1H3
InChIKeyMNDRSMACEGDRIO-UHFFFAOYSA-N
MW305.56 g/mol
LogP5.46
Rot. Bonds2

About 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene

1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene (PubChem CID 134620248) has the molecular formula C13H8Cl3FO and a molecular weight of 305.56 g/mol. Its IUPAC name is 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
PubChem CID134620248
Molecular FormulaC13H8Cl3FO
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC Name1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1F
InChIInChI=1S/C13H8Cl3FO/c1-18-11-4-2-3-8(13(11)17)7-5-9(14)12(16)10(15)6-7/h2-6H,1H3
InChIKeyMNDRSMACEGDRIO-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.56
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene 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

1,2,3-trichloro-5-(3-fluoro-2-methoxyphenyl)benzene
CID 134626763
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
5-(2-fluoro-3-methoxyphenyl)-3-methylpyridin-2-amine
CID 83170169
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
CID 106520555

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene?
The IUPAC name of 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene (CID 134620248) is 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene.
What is the SMILES notation for 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene?
The canonical SMILES for 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene is COc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1F.
What is the InChIKey of 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene?
The InChIKey is MNDRSMACEGDRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FO/c1-18-11-4-2-3-8(13(11)17)7-5-9(14)12(16)10(15)6-7/h2-6H,1H3.
What are the key properties of 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene?
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene has a molecular weight of 305.56 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene is sourced from PubChem (CID 134620248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).