1-(difluoromethyl)-4-methylbenzene

C8H8F2 — CID 14917270

IUPAC1-(difluoromethyl)-4-methylbenzene
SMILESCc1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,8H,1H3
InChIKeyYQJIPCFHYBWRNH-UHFFFAOYSA-N
MW142.15 g/mol
LogP2.93
Rot. Bonds1

About 1-(difluoromethyl)-4-methylbenzene

1-(difluoromethyl)-4-methylbenzene (PubChem CID 14917270) has the molecular formula C8H8F2 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methylbenzene
PubChem CID14917270
Molecular FormulaC8H8F2
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1-(difluoromethyl)-4-methylbenzene
SMILESCc1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,8H,1H3
InChIKeyYQJIPCFHYBWRNH-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methylbenzene?
The IUPAC name of 1-(difluoromethyl)-4-methylbenzene (CID 14917270) is 1-(difluoromethyl)-4-methylbenzene.
What is the SMILES notation for 1-(difluoromethyl)-4-methylbenzene?
The canonical SMILES for 1-(difluoromethyl)-4-methylbenzene is Cc1ccc(C(F)F)cc1.
What is the InChIKey of 1-(difluoromethyl)-4-methylbenzene?
The InChIKey is YQJIPCFHYBWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methylbenzene?
1-(difluoromethyl)-4-methylbenzene has a molecular weight of 142.15 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methylbenzene is sourced from PubChem (CID 14917270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).