4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene

C13H8Cl2F2 — CID 55198108

IUPAC4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H8Cl2F2/c14-9-3-6-11(12(17)7-9)13(15)8-1-4-10(16)5-2-8/h1-7,13H
InChIKeyZDOICBMOQOKFFF-UHFFFAOYSA-N
MW273.11 g/mol
LogP4.95
Rot. Bonds2

About 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene

4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene (PubChem CID 55198108) has the molecular formula C13H8Cl2F2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
PubChem CID55198108
Molecular FormulaC13H8Cl2F2
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H8Cl2F2/c14-9-3-6-11(12(17)7-9)13(15)8-1-4-10(16)5-2-8/h1-7,13H
InChIKeyZDOICBMOQOKFFF-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 54.95
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-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene (CID 55198108) is 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene is Fc1ccc(C(Cl)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene?
The InChIKey is ZDOICBMOQOKFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2/c14-9-3-6-11(12(17)7-9)13(15)8-1-4-10(16)5-2-8/h1-7,13H.
What are the key properties of 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene?
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene has a molecular weight of 273.11 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 55198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).