4-fluoro-1-methyl-2-phenylbenzene

C13H11F — CID 21350138

IUPAC4-fluoro-1-methyl-2-phenylbenzene
SMILESCc1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C13H11F/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVLLKQBOKWADQRP-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.80
Rot. Bonds1

About 4-fluoro-1-methyl-2-phenylbenzene

4-fluoro-1-methyl-2-phenylbenzene (PubChem CID 21350138) has the molecular formula C13H11F and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-phenylbenzene.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-phenylbenzene
PubChem CID21350138
Molecular FormulaC13H11F
Molecular Weight186.23 g/mol
Exact Mass186.08
IUPAC Name4-fluoro-1-methyl-2-phenylbenzene
SMILESCc1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C13H11F/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVLLKQBOKWADQRP-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-phenylbenzene?
The IUPAC name of 4-fluoro-1-methyl-2-phenylbenzene (CID 21350138) is 4-fluoro-1-methyl-2-phenylbenzene.
What is the SMILES notation for 4-fluoro-1-methyl-2-phenylbenzene?
The canonical SMILES for 4-fluoro-1-methyl-2-phenylbenzene is Cc1ccc(F)cc1-c1ccccc1.
What is the InChIKey of 4-fluoro-1-methyl-2-phenylbenzene?
The InChIKey is VLLKQBOKWADQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-fluoro-1-methyl-2-phenylbenzene?
4-fluoro-1-methyl-2-phenylbenzene has a molecular weight of 186.23 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-phenylbenzene is sourced from PubChem (CID 21350138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).