difluoromethylbenzene

C7H6F2 — CID 640452

IUPACdifluoromethylbenzene
SMILESFC(F)c1ccccc1
InChIInChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKeyJDZLOJYSBBLXQD-UHFFFAOYSA-N
MW128.12 g/mol
LogP2.62
Rot. Bonds1

About difluoromethylbenzene

difluoromethylbenzene (PubChem CID 640452) has the molecular formula C7H6F2 and a molecular weight of 128.12 g/mol. Its IUPAC name is difluoromethylbenzene.

Molecular Properties

Compound Namedifluoromethylbenzene
PubChem CID640452
Molecular FormulaC7H6F2
Molecular Weight128.12 g/mol
Exact Mass128.04
IUPAC Namedifluoromethylbenzene
SMILESFC(F)c1ccccc1
InChIInChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKeyJDZLOJYSBBLXQD-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of difluoromethylbenzene?
The IUPAC name of difluoromethylbenzene (CID 640452) is difluoromethylbenzene.
What is the SMILES notation for difluoromethylbenzene?
The canonical SMILES for difluoromethylbenzene is FC(F)c1ccccc1.
What is the InChIKey of difluoromethylbenzene?
The InChIKey is JDZLOJYSBBLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of difluoromethylbenzene?
difluoromethylbenzene has a molecular weight of 128.12 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylbenzene is sourced from PubChem (CID 640452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).