1,4-difluoro-2,3,5,6-tetramethylbenzene

C10H12F2 — CID 11829865

IUPAC1,4-difluoro-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(F)c(C)c(C)c1F
InChIInChI=1S/C10H12F2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKeyDWONGJPNXIQCRN-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.20
Rot. Bonds

About 1,4-difluoro-2,3,5,6-tetramethylbenzene

1,4-difluoro-2,3,5,6-tetramethylbenzene (PubChem CID 11829865) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 1,4-difluoro-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2,3,5,6-tetramethylbenzene
PubChem CID11829865
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name1,4-difluoro-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(F)c(C)c(C)c1F
InChIInChI=1S/C10H12F2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKeyDWONGJPNXIQCRN-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-difluoro-2,3,5,6-tetramethylbenzene (CID 11829865) is 1,4-difluoro-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-difluoro-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-difluoro-2,3,5,6-tetramethylbenzene is Cc1c(C)c(F)c(C)c(C)c1F.
What is the InChIKey of 1,4-difluoro-2,3,5,6-tetramethylbenzene?
The InChIKey is DWONGJPNXIQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3.
What are the key properties of 1,4-difluoro-2,3,5,6-tetramethylbenzene?
1,4-difluoro-2,3,5,6-tetramethylbenzene has a molecular weight of 170.20 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 11829865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).