1,2,3,4,5,6,7,8-octafluoro-9H-fluorene

C13H2F8 — CID 12571901

IUPAC1,2,3,4,5,6,7,8-octafluoro-9H-fluorene
SMILESFc1c(F)c(F)c2c(c1F)Cc1c(F)c(F)c(F)c(F)c1-2
InChIInChI=1S/C13H2F8/c14-6-2-1-3-5(4(2)8(16)12(20)10(6)18)9(17)13(21)11(19)7(3)15/h1H2
InChIKeyHGNCDJPIGYRCMI-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.37
Rot. Bonds

About 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene

1,2,3,4,5,6,7,8-octafluoro-9H-fluorene (PubChem CID 12571901) has the molecular formula C13H2F8 and a molecular weight of 310.14 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoro-9H-fluorene
PubChem CID12571901
Molecular FormulaC13H2F8
Molecular Weight310.14 g/mol
Exact Mass310.00
IUPAC Name1,2,3,4,5,6,7,8-octafluoro-9H-fluorene
SMILESFc1c(F)c(F)c2c(c1F)Cc1c(F)c(F)c(F)c(F)c1-2
InChIInChI=1S/C13H2F8/c14-6-2-1-3-5(4(2)8(16)12(20)10(6)18)9(17)13(21)11(19)7(3)15/h1H2
InChIKeyHGNCDJPIGYRCMI-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene (CID 12571901) is 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene is Fc1c(F)c(F)c2c(c1F)Cc1c(F)c(F)c(F)c(F)c1-2.
What is the InChIKey of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
The InChIKey is HGNCDJPIGYRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F8/c14-6-2-1-3-5(4(2)8(16)12(20)10(6)18)9(17)13(21)11(19)7(3)15/h1H2.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
1,2,3,4,5,6,7,8-octafluoro-9H-fluorene has a molecular weight of 310.14 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene is sourced from PubChem (CID 12571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).