2-(difluoromethoxy)ethylbenzene

C9H10F2O — CID 68508698

IUPAC2-(difluoromethoxy)ethylbenzene
SMILESFC(F)OCCc1ccccc1
InChIInChI=1S/C9H10F2O/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyOBKHGLDNQOBLEA-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.47
Rot. Bonds4

About 2-(difluoromethoxy)ethylbenzene

2-(difluoromethoxy)ethylbenzene (PubChem CID 68508698) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethylbenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)ethylbenzene
PubChem CID68508698
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2-(difluoromethoxy)ethylbenzene
SMILESFC(F)OCCc1ccccc1
InChIInChI=1S/C9H10F2O/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyOBKHGLDNQOBLEA-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)ethylbenzene?
The IUPAC name of 2-(difluoromethoxy)ethylbenzene (CID 68508698) is 2-(difluoromethoxy)ethylbenzene.
What is the SMILES notation for 2-(difluoromethoxy)ethylbenzene?
The canonical SMILES for 2-(difluoromethoxy)ethylbenzene is FC(F)OCCc1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)ethylbenzene?
The InChIKey is OBKHGLDNQOBLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(difluoromethoxy)ethylbenzene?
2-(difluoromethoxy)ethylbenzene has a molecular weight of 172.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethylbenzene is sourced from PubChem (CID 68508698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).