2,2-difluoroethoxybenzene

C8H8F2O — CID 15789467

IUPAC2,2-difluoroethoxybenzene
SMILESFC(F)COc1ccccc1
InChIInChI=1S/C8H8F2O/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyHOKWHGYUNYFNTP-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.33
Rot. Bonds3

About 2,2-difluoroethoxybenzene

2,2-difluoroethoxybenzene (PubChem CID 15789467) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,2-difluoroethoxybenzene.

Molecular Properties

Compound Name2,2-difluoroethoxybenzene
PubChem CID15789467
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name2,2-difluoroethoxybenzene
SMILESFC(F)COc1ccccc1
InChIInChI=1S/C8H8F2O/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyHOKWHGYUNYFNTP-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethoxybenzene?
The IUPAC name of 2,2-difluoroethoxybenzene (CID 15789467) is 2,2-difluoroethoxybenzene.
What is the SMILES notation for 2,2-difluoroethoxybenzene?
The canonical SMILES for 2,2-difluoroethoxybenzene is FC(F)COc1ccccc1.
What is the InChIKey of 2,2-difluoroethoxybenzene?
The InChIKey is HOKWHGYUNYFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 2,2-difluoroethoxybenzene?
2,2-difluoroethoxybenzene has a molecular weight of 158.15 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethoxybenzene is sourced from PubChem (CID 15789467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).