1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene

C13H19F — CID 157107563

IUPAC1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
SMILESCC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H19F/c1-10(9-13(2,3)4)11-5-7-12(14)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeySAUGYGZCZURIKQ-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.37
Rot. Bonds2

About 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene

1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene (PubChem CID 157107563) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
PubChem CID157107563
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
SMILESCC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H19F/c1-10(9-13(2,3)4)11-5-7-12(14)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeySAUGYGZCZURIKQ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene (CID 157107563) is 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene is CC(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene?
The InChIKey is SAUGYGZCZURIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-10(9-13(2,3)4)11-5-7-12(14)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene?
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene has a molecular weight of 194.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene is sourced from PubChem (CID 157107563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).