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

C13HF9 — CID 90188219

IUPAC1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene
SMILESFC1=C2C(=C(F)c3c(F)c(F)c(F)c(F)c32)C(F)C(F)=C1F
InChIInChI=1S/C13HF9/c14-5-3-1(6(15)10(19)12(21)8(3)17)2-4(5)9(18)13(22)11(20)7(2)16/h8H
InChIKeyVEHJARXFQVETKC-UHFFFAOYSA-N
MW328.13 g/mol
LogP5.12
Rot. Bonds

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

1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene (PubChem CID 90188219) has the molecular formula C13HF9 and a molecular weight of 328.13 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene
PubChem CID90188219
Molecular FormulaC13HF9
Molecular Weight328.13 g/mol
Exact Mass327.99
IUPAC Name1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene
SMILESFC1=C2C(=C(F)c3c(F)c(F)c(F)c(F)c32)C(F)C(F)=C1F
InChIInChI=1S/C13HF9/c14-5-3-1(6(15)10(19)12(21)8(3)17)2-4(5)9(18)13(22)11(20)7(2)16/h8H
InChIKeyVEHJARXFQVETKC-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.13
LogP ≤ 55.12
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 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene?
The IUPAC name of 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene (CID 90188219) is 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene?
The canonical SMILES for 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene is FC1=C2C(=C(F)c3c(F)c(F)c(F)c(F)c32)C(F)C(F)=C1F.
What is the InChIKey of 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene?
The InChIKey is VEHJARXFQVETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13HF9/c14-5-3-1(6(15)10(19)12(21)8(3)17)2-4(5)9(18)13(22)11(20)7(2)16/h8H.
What are the key properties of 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene?
1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene has a molecular weight of 328.13 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9-nonafluoro-1H-fluorene is sourced from PubChem (CID 90188219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).