1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene

C12H8F4 — CID 12720558

IUPAC1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene
SMILESCc1cc2c(F)c(F)c(F)c(F)c2cc1C
InChIInChI=1S/C12H8F4/c1-5-3-7-8(4-6(5)2)10(14)12(16)11(15)9(7)13/h3-4H,1-2H3
InChIKeyYDAJJIVFTHZYOQ-UHFFFAOYSA-N
MW228.19 g/mol
LogP4.01
Rot. Bonds

About 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene

1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene (PubChem CID 12720558) has the molecular formula C12H8F4 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene
PubChem CID12720558
Molecular FormulaC12H8F4
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene
SMILESCc1cc2c(F)c(F)c(F)c(F)c2cc1C
InChIInChI=1S/C12H8F4/c1-5-3-7-8(4-6(5)2)10(14)12(16)11(15)9(7)13/h3-4H,1-2H3
InChIKeyYDAJJIVFTHZYOQ-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene?
The IUPAC name of 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene (CID 12720558) is 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene?
The canonical SMILES for 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene is Cc1cc2c(F)c(F)c(F)c(F)c2cc1C.
What is the InChIKey of 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene?
The InChIKey is YDAJJIVFTHZYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4/c1-5-3-7-8(4-6(5)2)10(14)12(16)11(15)9(7)13/h3-4H,1-2H3.
What are the key properties of 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene?
1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene has a molecular weight of 228.19 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-6,7-dimethylnaphthalene is sourced from PubChem (CID 12720558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).