1-(difluoromethoxy)-3-methoxybenzene

C8H8F2O2 — CID 18736636

IUPAC1-(difluoromethoxy)-3-methoxybenzene
SMILESCOc1cccc(OC(F)F)c1
InChIInChI=1S/C8H8F2O2/c1-11-6-3-2-4-7(5-6)12-8(9)10/h2-5,8H,1H3
InChIKeyACBDTTZRCYKEOH-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.30
Rot. Bonds3

About 1-(difluoromethoxy)-3-methoxybenzene

1-(difluoromethoxy)-3-methoxybenzene (PubChem CID 18736636) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methoxybenzene
PubChem CID18736636
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name1-(difluoromethoxy)-3-methoxybenzene
SMILESCOc1cccc(OC(F)F)c1
InChIInChI=1S/C8H8F2O2/c1-11-6-3-2-4-7(5-6)12-8(9)10/h2-5,8H,1H3
InChIKeyACBDTTZRCYKEOH-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methoxybenzene?
The IUPAC name of 1-(difluoromethoxy)-3-methoxybenzene (CID 18736636) is 1-(difluoromethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-methoxybenzene?
The canonical SMILES for 1-(difluoromethoxy)-3-methoxybenzene is COc1cccc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-methoxybenzene?
The InChIKey is ACBDTTZRCYKEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-11-6-3-2-4-7(5-6)12-8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethoxy)-3-methoxybenzene?
1-(difluoromethoxy)-3-methoxybenzene has a molecular weight of 174.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methoxybenzene is sourced from PubChem (CID 18736636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).