2-(2-fluorophenyl)-1,3-dimethylbenzene

C14H13F — CID 22075461

IUPAC2-(2-fluorophenyl)-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1ccccc1F
InChIInChI=1S/C14H13F/c1-10-6-5-7-11(2)14(10)12-8-3-4-9-13(12)15/h3-9H,1-2H3
InChIKeyGEGFYHMNCOEFFK-UHFFFAOYSA-N
MW200.26 g/mol
LogP4.11
Rot. Bonds1

About 2-(2-fluorophenyl)-1,3-dimethylbenzene

2-(2-fluorophenyl)-1,3-dimethylbenzene (PubChem CID 22075461) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3-dimethylbenzene
PubChem CID22075461
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name2-(2-fluorophenyl)-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1ccccc1F
InChIInChI=1S/C14H13F/c1-10-6-5-7-11(2)14(10)12-8-3-4-9-13(12)15/h3-9H,1-2H3
InChIKeyGEGFYHMNCOEFFK-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3-dimethylbenzene?
The IUPAC name of 2-(2-fluorophenyl)-1,3-dimethylbenzene (CID 22075461) is 2-(2-fluorophenyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(2-fluorophenyl)-1,3-dimethylbenzene is Cc1cccc(C)c1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1,3-dimethylbenzene?
The InChIKey is GEGFYHMNCOEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F/c1-10-6-5-7-11(2)14(10)12-8-3-4-9-13(12)15/h3-9H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1,3-dimethylbenzene?
2-(2-fluorophenyl)-1,3-dimethylbenzene has a molecular weight of 200.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3-dimethylbenzene is sourced from PubChem (CID 22075461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).