1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene

C10H3F15 — CID 88654347

IUPAC1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene
SMILESCC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C10H3F15/c1-2(11)3(12)4(13,7(18,19)5(2,14)15)8(20,21)10(24,25)9(22,23)6(3,16)17/h1H3
InChIKeyJSABBWMULUTSTI-UHFFFAOYSA-N
MW408.10 g/mol
LogP4.97
Rot. Bonds

About 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene

1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene (PubChem CID 88654347) has the molecular formula C10H3F15 and a molecular weight of 408.10 g/mol. Its IUPAC name is 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene.

Molecular Properties

Compound Name1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene
PubChem CID88654347
Molecular FormulaC10H3F15
Molecular Weight408.10 g/mol
Exact Mass408.00
IUPAC Name1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene
SMILESCC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C10H3F15/c1-2(11)3(12)4(13,7(18,19)5(2,14)15)8(20,21)10(24,25)9(22,23)6(3,16)17/h1H3
InChIKeyJSABBWMULUTSTI-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 54.97
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 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene?
The IUPAC name of 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene (CID 88654347) is 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene.
What is the SMILES notation for 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene?
The canonical SMILES for 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene is CC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F.
What is the InChIKey of 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene?
The InChIKey is JSABBWMULUTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F15/c1-2(11)3(12)4(13,7(18,19)5(2,14)15)8(20,21)10(24,25)9(22,23)6(3,16)17/h1H3.
What are the key properties of 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene?
1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene has a molecular weight of 408.10 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-methylindene is sourced from PubChem (CID 88654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).