1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene

C16H14Cl2F2 — CID 79448258

IUPAC1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(CCl)(CCl)c2ccccc2)c(F)c1
InChIInChI=1S/C16H14Cl2F2/c17-10-16(11-18,13-4-2-1-3-5-13)9-12-6-7-14(19)8-15(12)20/h1-8H,9-11H2
InChIKeyFCOOFVIZDOTYDJ-UHFFFAOYSA-N
MW315.19 g/mol
LogP4.92
Rot. Bonds5

About 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene

1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene (PubChem CID 79448258) has the molecular formula C16H14Cl2F2 and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene
PubChem CID79448258
Molecular FormulaC16H14Cl2F2
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(CCl)(CCl)c2ccccc2)c(F)c1
InChIInChI=1S/C16H14Cl2F2/c17-10-16(11-18,13-4-2-1-3-5-13)9-12-6-7-14(19)8-15(12)20/h1-8H,9-11H2
InChIKeyFCOOFVIZDOTYDJ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 54.92
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-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-2,4-difluorobenzene
CID 79444930
4-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79443766
2-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-4-fluorobenzene
CID 79446810
1-(2-benzyl-1,3-dichloropropan-2-yl)-3-fluorobenzene
CID 79453237
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-difluorobenzene
CID 79455643
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-2-methylbenzene
CID 79453063
2-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376123
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
CID 79446963
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79447240
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
1-[3-bromo-2-(bromomethyl)-2-(3-fluorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862293

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene?
The IUPAC name of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene (CID 79448258) is 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene is Fc1ccc(CC(CCl)(CCl)c2ccccc2)c(F)c1.
What is the InChIKey of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene?
The InChIKey is FCOOFVIZDOTYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2/c17-10-16(11-18,13-4-2-1-3-5-13)9-12-6-7-14(19)8-15(12)20/h1-8H,9-11H2.
What are the key properties of 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene?
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene has a molecular weight of 315.19 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,4-difluorobenzene is sourced from PubChem (CID 79448258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).