1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene

C13H7Cl3F2 — CID 63431317

IUPAC1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
SMILESFc1ccc(C(Cl)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C13H7Cl3F2/c14-9-3-8(4-10(15)6-9)13(16)7-1-2-11(17)12(18)5-7/h1-6,13H
InChIKeyRLFXXLFOXDGHHE-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.60
Rot. Bonds2

About 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene

1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene (PubChem CID 63431317) has the molecular formula C13H7Cl3F2 and a molecular weight of 307.55 g/mol. Its IUPAC name is 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
PubChem CID63431317
Molecular FormulaC13H7Cl3F2
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC Name1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
SMILESFc1ccc(C(Cl)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C13H7Cl3F2/c14-9-3-8(4-10(15)6-9)13(16)7-1-2-11(17)12(18)5-7/h1-6,13H
InChIKeyRLFXXLFOXDGHHE-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.60
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-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
4-[chloro-(4-methylsulfonylphenyl)methyl]-1,2-difluorobenzene
CID 61086005
4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole
CID 114990648
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
2-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 61086178
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene (CID 63431317) is 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene is Fc1ccc(C(Cl)c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene?
The InChIKey is RLFXXLFOXDGHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2/c14-9-3-8(4-10(15)6-9)13(16)7-1-2-11(17)12(18)5-7/h1-6,13H.
What are the key properties of 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene?
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene has a molecular weight of 307.55 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene is sourced from PubChem (CID 63431317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).