2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene

C14H10Cl3F — CID 55198991

IUPAC2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
SMILESCc1ccc(F)cc1C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3F/c1-8-2-4-10(18)7-12(8)14(17)11-5-3-9(15)6-13(11)16/h2-7,14H,1H3
InChIKeyBCSZJQNMCJHXMQ-UHFFFAOYSA-N
MW303.59 g/mol
LogP5.77
Rot. Bonds2

About 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene

2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene (PubChem CID 55198991) has the molecular formula C14H10Cl3F and a molecular weight of 303.59 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
PubChem CID55198991
Molecular FormulaC14H10Cl3F
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
SMILESCc1ccc(F)cc1C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3F/c1-8-2-4-10(18)7-12(8)14(17)11-5-3-9(15)6-13(11)16/h2-7,14H,1H3
InChIKeyBCSZJQNMCJHXMQ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.59
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429790
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
1,4-dibromo-2-[chloro-(2-chloro-4-fluorophenyl)methyl]-5-methylbenzene
CID 81472723
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
4-chloro-2-(difluoromethyl)-1-methylbenzene;1-(difluoromethyl)-4-fluoro-2-methylbenzene;ethane
CID 143887999
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81051365

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene (CID 55198991) is 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene is Cc1ccc(F)cc1C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene?
The InChIKey is BCSZJQNMCJHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3F/c1-8-2-4-10(18)7-12(8)14(17)11-5-3-9(15)6-13(11)16/h2-7,14H,1H3.
What are the key properties of 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene?
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene has a molecular weight of 303.59 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene is sourced from PubChem (CID 55198991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).