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

C13H2BrF7 — CID 44514073

IUPAC2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene
SMILESFc1c(F)c(F)c2c(c1F)Cc1c(F)c(Br)c(F)c(F)c1-2
InChIInChI=1S/C13H2BrF7/c14-6-7(15)2-1-3-5(4(2)9(17)11(6)19)10(18)13(21)12(20)8(3)16/h1H2
InChIKeyHGDYSKPSAWEOOO-UHFFFAOYSA-N
MW371.05 g/mol
LogP4.99
Rot. Bonds

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

2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene (PubChem CID 44514073) has the molecular formula C13H2BrF7 and a molecular weight of 371.05 g/mol. Its IUPAC name is 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene.

Molecular Properties

Compound Name2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene
PubChem CID44514073
Molecular FormulaC13H2BrF7
Molecular Weight371.05 g/mol
Exact Mass369.92
IUPAC Name2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene
SMILESFc1c(F)c(F)c2c(c1F)Cc1c(F)c(Br)c(F)c(F)c1-2
InChIInChI=1S/C13H2BrF7/c14-6-7(15)2-1-3-5(4(2)9(17)11(6)19)10(18)13(21)12(20)8(3)16/h1H2
InChIKeyHGDYSKPSAWEOOO-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.05
LogP ≤ 54.99
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'}

Analyze 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-9,9-difluoro-7-iodo-9H-fluorene
CID 59611589
2,7-Dibromo-9,9-difluorofluorene
CID 59611235
5-Bromononafluoroindane
CID 57364089
2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
CID 44514074
2-Bromo-1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluorene
CID 101863134
2,7-Dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene
CID 134941195
2-bromo-7-fluoro-9H-fluorene
CID 347238
2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
CID 44514075
2-Bromo-9,9-bis(trifluoromethyl)fluorene
CID 53487913
2,7-Dibromo-9-fluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)fluorene
CID 58142239
2-bromo-9,9-difluoro-9H-fluorene
CID 78358305
CID 88359548
CID 88359548

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene?
The IUPAC name of 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene (CID 44514073) is 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene.
What is the SMILES notation for 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene?
The canonical SMILES for 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene is Fc1c(F)c(F)c2c(c1F)Cc1c(F)c(Br)c(F)c(F)c1-2.
What is the InChIKey of 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene?
The InChIKey is HGDYSKPSAWEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2BrF7/c14-6-7(15)2-1-3-5(4(2)9(17)11(6)19)10(18)13(21)12(20)8(3)16/h1H2.
What are the key properties of 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene?
2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene has a molecular weight of 371.05 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene is sourced from PubChem (CID 44514073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).