(3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene

C9F16 — CID 57353416

IUPAC(3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene
SMILESFC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F
InChIInChI=1S/C9F16/c10-1-2(11,4(14,15)7(20,21)3(1,12)13)6(18,19)9(24,25)8(22,23)5(1,16)17/t1-,2-/m1/s1
InChIKeyNLQOEOVORMKOIY-JCYAYHJZSA-N
MW412.07 g/mol
LogP4.88
Rot. Bonds

About (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene

(3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene (PubChem CID 57353416) has the molecular formula C9F16 and a molecular weight of 412.07 g/mol. Its IUPAC name is (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene.

Molecular Properties

Compound Name(3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene
PubChem CID57353416
Molecular FormulaC9F16
Molecular Weight412.07 g/mol
Exact Mass411.97
IUPAC Name(3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene
SMILESFC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F
InChIInChI=1S/C9F16/c10-1-2(11,4(14,15)7(20,21)3(1,12)13)6(18,19)9(24,25)8(22,23)5(1,16)17/t1-,2-/m1/s1
InChIKeyNLQOEOVORMKOIY-JCYAYHJZSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.07
LogP ≤ 54.88
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 (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene?
The IUPAC name of (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene (CID 57353416) is (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene.
What is the SMILES notation for (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene?
The canonical SMILES for (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene is FC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F.
What is the InChIKey of (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene?
The InChIKey is NLQOEOVORMKOIY-JCYAYHJZSA-N. The full InChI is InChI=1S/C9F16/c10-1-2(11,4(14,15)7(20,21)3(1,12)13)6(18,19)9(24,25)8(22,23)5(1,16)17/t1-,2-/m1/s1.
What are the key properties of (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene?
(3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene has a molecular weight of 412.07 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene is sourced from PubChem (CID 57353416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).