1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene

C13H6Cl3F3 — CID 103304052

IUPAC1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C13H6Cl3F3/c14-7-1-6(2-8(15)3-7)13(16)9-4-11(18)12(19)5-10(9)17/h1-5,13H
InChIKeyMTZPNRKREOKAJG-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.74
Rot. Bonds2

About 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene

1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103304052) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103304052
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C13H6Cl3F3/c14-7-1-6(2-8(15)3-7)13(16)9-4-11(18)12(19)5-10(9)17/h1-5,13H
InChIKeyMTZPNRKREOKAJG-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
1,3-dichloro-5-(dichloromethyl)benzene
CID 19898502

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene (CID 103304052) is 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene is Fc1cc(F)c(C(Cl)c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is MTZPNRKREOKAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-7-1-6(2-8(15)3-7)13(16)9-4-11(18)12(19)5-10(9)17/h1-5,13H.
What are the key properties of 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 325.54 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103304052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).