5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene

C13H8F4O — CID 23208412

IUPAC5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene
SMILESFc1cc(OC(F)F)cc(-c2ccccc2)c1F
InChIInChI=1S/C13H8F4O/c14-11-7-9(18-13(16)17)6-10(12(11)15)8-4-2-1-3-5-8/h1-7,13H
InChIKeyNDLRSZIJXBHBFP-UHFFFAOYSA-N
MW256.20 g/mol
LogP4.23
Rot. Bonds3

About 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene

5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene (PubChem CID 23208412) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene
PubChem CID23208412
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene
SMILESFc1cc(OC(F)F)cc(-c2ccccc2)c1F
InChIInChI=1S/C13H8F4O/c14-11-7-9(18-13(16)17)6-10(12(11)15)8-4-2-1-3-5-8/h1-7,13H
InChIKeyNDLRSZIJXBHBFP-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene?
The IUPAC name of 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene (CID 23208412) is 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene.
What is the SMILES notation for 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene?
The canonical SMILES for 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene is Fc1cc(OC(F)F)cc(-c2ccccc2)c1F.
What is the InChIKey of 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene?
The InChIKey is NDLRSZIJXBHBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c14-11-7-9(18-13(16)17)6-10(12(11)15)8-4-2-1-3-5-8/h1-7,13H.
What are the key properties of 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene?
5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene has a molecular weight of 256.20 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1,2-difluoro-3-phenylbenzene is sourced from PubChem (CID 23208412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).