1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene

C8H5F5O — CID 130980335

IUPAC1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene
SMILESFCc1cc(F)c(F)cc1OC(F)F
InChIInChI=1S/C8H5F5O/c9-3-4-1-5(10)6(11)2-7(4)14-8(12)13/h1-2,8H,3H2
InChIKeyKFZZCKCAOZRZSX-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.04
Rot. Bonds3

About 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene

1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene (PubChem CID 130980335) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene
PubChem CID130980335
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene
SMILESFCc1cc(F)c(F)cc1OC(F)F
InChIInChI=1S/C8H5F5O/c9-3-4-1-5(10)6(11)2-7(4)14-8(12)13/h1-2,8H,3H2
InChIKeyKFZZCKCAOZRZSX-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene (CID 130980335) is 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene is FCc1cc(F)c(F)cc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene?
The InChIKey is KFZZCKCAOZRZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-3-4-1-5(10)6(11)2-7(4)14-8(12)13/h1-2,8H,3H2.
What are the key properties of 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene?
1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene has a molecular weight of 212.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene is sourced from PubChem (CID 130980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).