1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene

C14H4F20 — CID 88625549

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
SMILESFC1(F)C2C(C(F)(F)C3C1C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C14H4F20/c15-5(16)1-2(8(21,22)12(29,30)11(27,28)7(1,19)20)6(17,18)4-3(5)9(23,24)13(31,32)14(33,34)10(4,25)26/h1-4H
InChIKeyQVFXJFGBAZPDIA-UHFFFAOYSA-N
MW552.15 g/mol
LogP6.84
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene (PubChem CID 88625549) has the molecular formula C14H4F20 and a molecular weight of 552.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
PubChem CID88625549
Molecular FormulaC14H4F20
Molecular Weight552.15 g/mol
Exact Mass552.00
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
SMILESFC1(F)C2C(C(F)(F)C3C1C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C14H4F20/c15-5(16)1-2(8(21,22)12(29,30)11(27,28)7(1,19)20)6(17,18)4-3(5)9(23,24)13(31,32)14(33,34)10(4,25)26/h1-4H
InChIKeyQVFXJFGBAZPDIA-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.15
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene with MolForge

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Related Compounds

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1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
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1,1,2,2,3,3,4,5-octafluorocyclopentane
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(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
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1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
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1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
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1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene (CID 88625549) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene is FC1(F)C2C(C(F)(F)C3C1C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene?
The InChIKey is QVFXJFGBAZPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F20/c15-5(16)1-2(8(21,22)12(29,30)11(27,28)7(1,19)20)6(17,18)4-3(5)9(23,24)13(31,32)14(33,34)10(4,25)26/h1-4H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene has a molecular weight of 552.15 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene is sourced from PubChem (CID 88625549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).