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

C13HBrF8 — CID 172727430

IUPAC9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2Br
InChIInChI=1S/C13HBrF8/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/h5H
InChIKeyHIHGQUSAJBRRLM-UHFFFAOYSA-N
MW389.04 g/mol
LogP5.26
Rot. Bonds

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

9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene (PubChem CID 172727430) has the molecular formula C13HBrF8 and a molecular weight of 389.04 g/mol. Its IUPAC name is 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene.

Molecular Properties

Compound Name9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene
PubChem CID172727430
Molecular FormulaC13HBrF8
Molecular Weight389.04 g/mol
Exact Mass387.91
IUPAC Name9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2Br
InChIInChI=1S/C13HBrF8/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/h5H
InChIKeyHIHGQUSAJBRRLM-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.04
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-1,1,2,3,3,4,5,6,7-nonafluoro-2,3-dihydro-1H-indene
CID 13179250
1,2,3,4,5,6,7,8-Octafluoro-9H-fluorene
CID 12571901
2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene
CID 44514073
2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
CID 44514074
9-Bromo-2-fluoro-9h-fluorene
CID 242557
1,2-Dibromo-1,2,3,3,4,5,6,7-octafluoro-2,3-dihydro-1H-indene
CID 13179236
1-Bromo-1-(2-bromotetrafluoroethyl)perfluoroindane
CID 13807072
9-bromo-3-fluoro-9H-fluorene
CID 249696
9-Bromo-1-fluoro-9h-fluorene
CID 249697
1,2,3,4,5,6,7,8,9-Nonafluoro-9-methylfluorene
CID 21335066
1,2,3,4,5,6,7,8,9-nonafluoro-9H-fluorene
CID 21981462
CID 174456969
CID 174456969

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
The IUPAC name of 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene (CID 172727430) is 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene.
What is the SMILES notation for 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
The canonical SMILES for 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene is Fc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2Br.
What is the InChIKey of 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
The InChIKey is HIHGQUSAJBRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13HBrF8/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/h5H.
What are the key properties of 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene?
9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene has a molecular weight of 389.04 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,2,3,4,5,6,7,8-octafluoro-9H-fluorene is sourced from PubChem (CID 172727430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).