1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene

C10F12 — CID 13226580

IUPAC1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene
SMILESFC1=C(F)C(F)(F)C2=C(C1(F)F)C(F)(F)C(F)=C(F)C2(F)F
InChIInChI=1S/C10F12/c11-3-5(13)9(19,20)2-1(7(3,15)16)8(17,18)4(12)6(14)10(2,21)22
InChIKeyBMYVGOOHGQKSGN-UHFFFAOYSA-N
MW348.09 g/mol
LogP5.15
Rot. Bonds

About 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene

1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene (PubChem CID 13226580) has the molecular formula C10F12 and a molecular weight of 348.09 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene
PubChem CID13226580
Molecular FormulaC10F12
Molecular Weight348.09 g/mol
Exact Mass347.98
IUPAC Name1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene
SMILESFC1=C(F)C(F)(F)C2=C(C1(F)F)C(F)(F)C(F)=C(F)C2(F)F
InChIInChI=1S/C10F12/c11-3-5(13)9(19,20)2-1(7(3,15)16)8(17,18)4(12)6(14)10(2,21)22
InChIKeyBMYVGOOHGQKSGN-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.09
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene?
The IUPAC name of 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene (CID 13226580) is 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene.
What is the SMILES notation for 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene?
The canonical SMILES for 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene is FC1=C(F)C(F)(F)C2=C(C1(F)F)C(F)(F)C(F)=C(F)C2(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene?
The InChIKey is BMYVGOOHGQKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F12/c11-3-5(13)9(19,20)2-1(7(3,15)16)8(17,18)4(12)6(14)10(2,21)22.
What are the key properties of 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene?
1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene has a molecular weight of 348.09 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,5,6,7,8,8-dodecafluoronaphthalene is sourced from PubChem (CID 13226580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).