1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene

C8H5F5O — CID 118828280

IUPAC1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene
SMILESFCOc1cc(F)c(F)cc1C(F)F
InChIInChI=1S/C8H5F5O/c9-3-14-7-2-6(11)5(10)1-4(7)8(12)13/h1-2,8H,3H2
InChIKeyPNRDZJZALARJLI-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.21
Rot. Bonds3

About 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene

1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene (PubChem CID 118828280) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene
PubChem CID118828280
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene
SMILESFCOc1cc(F)c(F)cc1C(F)F
InChIInChI=1S/C8H5F5O/c9-3-14-7-2-6(11)5(10)1-4(7)8(12)13/h1-2,8H,3H2
InChIKeyPNRDZJZALARJLI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene (CID 118828280) is 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene is FCOc1cc(F)c(F)cc1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene?
The InChIKey is PNRDZJZALARJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-3-14-7-2-6(11)5(10)1-4(7)8(12)13/h1-2,8H,3H2.
What are the key properties of 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene?
1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene has a molecular weight of 212.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene is sourced from PubChem (CID 118828280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).