1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene

C11H14ClF — CID 61083124

IUPAC1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene
SMILESCC(C)(C)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C11H14ClF/c1-11(2,3)10(12)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3
InChIKeyPUQJDQJWYLYIGY-UHFFFAOYSA-N
MW200.68 g/mol
LogP4.15
Rot. Bonds1

About 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene

1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene (PubChem CID 61083124) has the molecular formula C11H14ClF and a molecular weight of 200.68 g/mol. Its IUPAC name is 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene
PubChem CID61083124
Molecular FormulaC11H14ClF
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC Name1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene
SMILESCC(C)(C)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C11H14ClF/c1-11(2,3)10(12)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3
InChIKeyPUQJDQJWYLYIGY-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene?
The IUPAC name of 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene (CID 61083124) is 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene is CC(C)(C)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene?
The InChIKey is PUQJDQJWYLYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF/c1-11(2,3)10(12)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3.
What are the key properties of 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene?
1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene has a molecular weight of 200.68 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene is sourced from PubChem (CID 61083124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).