1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene

C13H7Cl4F — CID 63436858

IUPAC1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
SMILESFc1cc(Cl)ccc1C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl4F/c14-8-2-3-9(12(18)6-8)13(17)7-1-4-10(15)11(16)5-7/h1-6,13H
InChIKeyVBUVJESWPXRVBP-UHFFFAOYSA-N
MW324.01 g/mol
LogP6.11
Rot. Bonds2

About 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene

1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene (PubChem CID 63436858) has the molecular formula C13H7Cl4F and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
PubChem CID63436858
Molecular FormulaC13H7Cl4F
Molecular Weight324.01 g/mol
Exact Mass321.93
IUPAC Name1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
SMILESFc1cc(Cl)ccc1C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl4F/c14-8-2-3-9(12(18)6-8)13(17)7-1-4-10(15)11(16)5-7/h1-6,13H
InChIKeyVBUVJESWPXRVBP-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.01
LogP ≤ 56.11
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

4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
CID 170404987
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 104662002
1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 134623230
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 81295695
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene (CID 63436858) is 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene is Fc1cc(Cl)ccc1C(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene?
The InChIKey is VBUVJESWPXRVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4F/c14-8-2-3-9(12(18)6-8)13(17)7-1-4-10(15)11(16)5-7/h1-6,13H.
What are the key properties of 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene?
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene has a molecular weight of 324.01 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene is sourced from PubChem (CID 63436858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).