1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene

C15H12Cl3F — CID 79431465

IUPAC1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
SMILESFc1cccc(C(CCl)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H12Cl3F/c16-9-11(10-3-1-4-12(19)7-10)8-13-14(17)5-2-6-15(13)18/h1-7,11H,8-9H2
InChIKeyIJZGZRVYHHDSLB-UHFFFAOYSA-N
MW317.62 g/mol
LogP5.70
Rot. Bonds4

About 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene

1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene (PubChem CID 79431465) has the molecular formula C15H12Cl3F and a molecular weight of 317.62 g/mol. Its IUPAC name is 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
PubChem CID79431465
Molecular FormulaC15H12Cl3F
Molecular Weight317.62 g/mol
Exact Mass316.00
IUPAC Name1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
SMILESFc1cccc(C(CCl)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H12Cl3F/c16-9-11(10-3-1-4-12(19)7-10)8-13-14(17)5-2-6-15(13)18/h1-7,11H,8-9H2
InChIKeyIJZGZRVYHHDSLB-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.62
LogP ≤ 55.70
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

1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79433976
3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile
CID 82139812
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene?
The IUPAC name of 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene (CID 79431465) is 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene is Fc1cccc(C(CCl)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene?
The InChIKey is IJZGZRVYHHDSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3F/c16-9-11(10-3-1-4-12(19)7-10)8-13-14(17)5-2-6-15(13)18/h1-7,11H,8-9H2.
What are the key properties of 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene?
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene has a molecular weight of 317.62 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene is sourced from PubChem (CID 79431465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).