1-(difluoromethyl)-2-methoxybenzene

C8H8F2O — CID 59635359

IUPAC1-(difluoromethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(F)F
InChIInChI=1S/C8H8F2O/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,8H,1H3
InChIKeyWWEUIZYTBGFTAP-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.63
Rot. Bonds2

About 1-(difluoromethyl)-2-methoxybenzene

1-(difluoromethyl)-2-methoxybenzene (PubChem CID 59635359) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methoxybenzene
PubChem CID59635359
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name1-(difluoromethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(F)F
InChIInChI=1S/C8H8F2O/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,8H,1H3
InChIKeyWWEUIZYTBGFTAP-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)-2-methoxybenzene?
The IUPAC name of 1-(difluoromethyl)-2-methoxybenzene (CID 59635359) is 1-(difluoromethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-methoxybenzene?
The canonical SMILES for 1-(difluoromethyl)-2-methoxybenzene is COc1ccccc1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-methoxybenzene?
The InChIKey is WWEUIZYTBGFTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,8H,1H3.
What are the key properties of 1-(difluoromethyl)-2-methoxybenzene?
1-(difluoromethyl)-2-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)-2-methoxybenzene is sourced from PubChem (CID 59635359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).