4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene

C11H12Cl3F — CID 103051481

IUPAC4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
SMILESCC(CCl)(CCl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H12Cl3F/c1-11(6-12,7-13)5-8-4-9(14)2-3-10(8)15/h2-4H,5-7H2,1H3
InChIKeyGKOQSZPSSKOITF-UHFFFAOYSA-N
MW269.57 g/mol
LogP4.51
Rot. Bonds4

About 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene

4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene (PubChem CID 103051481) has the molecular formula C11H12Cl3F and a molecular weight of 269.57 g/mol. Its IUPAC name is 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
PubChem CID103051481
Molecular FormulaC11H12Cl3F
Molecular Weight269.57 g/mol
Exact Mass268.00
IUPAC Name4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
SMILESCC(CCl)(CCl)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H12Cl3F/c1-11(6-12,7-13)5-8-4-9(14)2-3-10(8)15/h2-4H,5-7H2,1H3
InChIKeyGKOQSZPSSKOITF-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.57
LogP ≤ 54.51
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-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
CID 103047679
1-(5-chloro-2-fluorophenyl)-2-phenylpropan-2-amine
CID 103047839
2-[2-(bromomethyl)-2,3-dimethylbutyl]-4-chloro-1-fluorobenzene
CID 103051402
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
CID 82471705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene?
The IUPAC name of 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene (CID 103051481) is 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene is CC(CCl)(CCl)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene?
The InChIKey is GKOQSZPSSKOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3F/c1-11(6-12,7-13)5-8-4-9(14)2-3-10(8)15/h2-4H,5-7H2,1H3.
What are the key properties of 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene?
4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene has a molecular weight of 269.57 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene is sourced from PubChem (CID 103051481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).