1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene

C12F20 — CID 3083561

IUPAC1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene
SMILESFC1(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(C1(F)F)C23F
InChIInChI=1S/C12F20/c13-1-2(14)5(17,18)6(19,20)3(1,15)8(23,24)12(31,32)10(27,28)4(1,16)9(25,26)11(29,30)7(2,21)22
InChIKeyVDXGSVGYMMTFHU-UHFFFAOYSA-N
MW524.09 g/mol
LogP5.94
Rot. Bonds

About 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene

1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene (PubChem CID 3083561) has the molecular formula C12F20 and a molecular weight of 524.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene.

Molecular Properties

Compound Name1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene
PubChem CID3083561
Molecular FormulaC12F20
Molecular Weight524.09 g/mol
Exact Mass523.97
IUPAC Name1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene
SMILESFC1(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(C1(F)F)C23F
InChIInChI=1S/C12F20/c13-1-2(14)5(17,18)6(19,20)3(1,15)8(23,24)12(31,32)10(27,28)4(1,16)9(25,26)11(29,30)7(2,21)22
InChIKeyVDXGSVGYMMTFHU-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.09
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene?
The IUPAC name of 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene (CID 3083561) is 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene.
What is the SMILES notation for 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene?
The canonical SMILES for 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene is FC1(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(C1(F)F)C23F.
What is the InChIKey of 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene?
The InChIKey is VDXGSVGYMMTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F20/c13-1-2(14)5(17,18)6(19,20)3(1,15)8(23,24)12(31,32)10(27,28)4(1,16)9(25,26)11(29,30)7(2,21)22.
What are the key properties of 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene?
1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene has a molecular weight of 524.09 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3a,4,4,5,5,5a,6,6,7,7,8,8,8a,8b-icosafluoroacenaphthylene is sourced from PubChem (CID 3083561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).