1-(difluoromethyl)-4-methoxybenzene

C8H8F2O — CID 640454

IUPAC1-(difluoromethyl)-4-methoxybenzene
SMILESCOc1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8H,1H3
InChIKeyYNZBAHINXSRPNN-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.63
Rot. Bonds2

About 1-(difluoromethyl)-4-methoxybenzene

1-(difluoromethyl)-4-methoxybenzene (PubChem CID 640454) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methoxybenzene
PubChem CID640454
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name1-(difluoromethyl)-4-methoxybenzene
SMILESCOc1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8H,1H3
InChIKeyYNZBAHINXSRPNN-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methoxybenzene?
The IUPAC name of 1-(difluoromethyl)-4-methoxybenzene (CID 640454) is 1-(difluoromethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-4-methoxybenzene?
The canonical SMILES for 1-(difluoromethyl)-4-methoxybenzene is COc1ccc(C(F)F)cc1.
What is the InChIKey of 1-(difluoromethyl)-4-methoxybenzene?
The InChIKey is YNZBAHINXSRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methoxybenzene?
1-(difluoromethyl)-4-methoxybenzene has a molecular weight of 158.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methoxybenzene is sourced from PubChem (CID 640454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).