2-deuterio-1,3-difluorobenzene

C6H4F2 — CID 50998434

IUPAC2-deuterio-1,3-difluorobenzene
SMILES[2H]c1c(F)cccc1F
InChIInChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H/i4D
InChIKeyUEMGWPRHOOEKTA-QYKNYGDISA-N
MW115.10 g/mol
LogP1.96
Rot. Bonds

About 2-deuterio-1,3-difluorobenzene

2-deuterio-1,3-difluorobenzene (PubChem CID 50998434) has the molecular formula C6H4F2 and a molecular weight of 115.10 g/mol. Its IUPAC name is 2-deuterio-1,3-difluorobenzene.

Molecular Properties

Compound Name2-deuterio-1,3-difluorobenzene
PubChem CID50998434
Molecular FormulaC6H4F2
Molecular Weight115.10 g/mol
Exact Mass115.03
IUPAC Name2-deuterio-1,3-difluorobenzene
SMILES[2H]c1c(F)cccc1F
InChIInChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H/i4D
InChIKeyUEMGWPRHOOEKTA-QYKNYGDISA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.10
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1,3-difluorobenzene?
The IUPAC name of 2-deuterio-1,3-difluorobenzene (CID 50998434) is 2-deuterio-1,3-difluorobenzene.
What is the SMILES notation for 2-deuterio-1,3-difluorobenzene?
The canonical SMILES for 2-deuterio-1,3-difluorobenzene is [2H]c1c(F)cccc1F.
What is the InChIKey of 2-deuterio-1,3-difluorobenzene?
The InChIKey is UEMGWPRHOOEKTA-QYKNYGDISA-N. The full InChI is InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H/i4D.
What are the key properties of 2-deuterio-1,3-difluorobenzene?
2-deuterio-1,3-difluorobenzene has a molecular weight of 115.10 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1,3-difluorobenzene is sourced from PubChem (CID 50998434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).