1-fluoro-4-(2-methylphenyl)benzene

C13H11F — CID 12577264

IUPAC1-fluoro-4-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C13H11F/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,1H3
InChIKeyFJYWQZHPTCPATB-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.80
Rot. Bonds1

About 1-fluoro-4-(2-methylphenyl)benzene

1-fluoro-4-(2-methylphenyl)benzene (PubChem CID 12577264) has the molecular formula C13H11F and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylphenyl)benzene
PubChem CID12577264
Molecular FormulaC13H11F
Molecular Weight186.23 g/mol
Exact Mass186.08
IUPAC Name1-fluoro-4-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C13H11F/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,1H3
InChIKeyFJYWQZHPTCPATB-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 1-fluoro-4-(2-methylphenyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methylphenyl)benzene (CID 12577264) is 1-fluoro-4-(2-methylphenyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methylphenyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methylphenyl)benzene is Cc1ccccc1-c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-methylphenyl)benzene?
The InChIKey is FJYWQZHPTCPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,1H3.
What are the key properties of 1-fluoro-4-(2-methylphenyl)benzene?
1-fluoro-4-(2-methylphenyl)benzene 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 1-fluoro-4-(2-methylphenyl)benzene is sourced from PubChem (CID 12577264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).