1-fluoro-4-phenyl-2-propan-2-ylbenzene

C15H15F — CID 134581183

IUPAC1-fluoro-4-phenyl-2-propan-2-ylbenzene
SMILESCC(C)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C15H15F/c1-11(2)14-10-13(8-9-15(14)16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyULTNVRYHOVKPJY-UHFFFAOYSA-N
MW214.28 g/mol
LogP4.62
Rot. Bonds2

About 1-fluoro-4-phenyl-2-propan-2-ylbenzene

1-fluoro-4-phenyl-2-propan-2-ylbenzene (PubChem CID 134581183) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-fluoro-4-phenyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-4-phenyl-2-propan-2-ylbenzene
PubChem CID134581183
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name1-fluoro-4-phenyl-2-propan-2-ylbenzene
SMILESCC(C)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C15H15F/c1-11(2)14-10-13(8-9-15(14)16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyULTNVRYHOVKPJY-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenyl-2-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-4-phenyl-2-propan-2-ylbenzene (CID 134581183) is 1-fluoro-4-phenyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-4-phenyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-4-phenyl-2-propan-2-ylbenzene is CC(C)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of 1-fluoro-4-phenyl-2-propan-2-ylbenzene?
The InChIKey is ULTNVRYHOVKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F/c1-11(2)14-10-13(8-9-15(14)16)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 1-fluoro-4-phenyl-2-propan-2-ylbenzene?
1-fluoro-4-phenyl-2-propan-2-ylbenzene has a molecular weight of 214.28 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenyl-2-propan-2-ylbenzene is sourced from PubChem (CID 134581183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).