9-bromo-10-(2-fluoroethyl)anthracene

C16H12BrF — CID 13291504

IUPAC9-bromo-10-(2-fluoroethyl)anthracene
SMILESFCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C16H12BrF/c17-16-14-7-3-1-5-11(14)13(9-10-18)12-6-2-4-8-15(12)16/h1-8H,9-10H2
InChIKeyDZQNOKMNVOUKSG-UHFFFAOYSA-N
MW303.17 g/mol
LogP5.27
Rot. Bonds2

About 9-bromo-10-(2-fluoroethyl)anthracene

9-bromo-10-(2-fluoroethyl)anthracene (PubChem CID 13291504) has the molecular formula C16H12BrF and a molecular weight of 303.17 g/mol. Its IUPAC name is 9-bromo-10-(2-fluoroethyl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(2-fluoroethyl)anthracene
PubChem CID13291504
Molecular FormulaC16H12BrF
Molecular Weight303.17 g/mol
Exact Mass302.01
IUPAC Name9-bromo-10-(2-fluoroethyl)anthracene
SMILESFCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C16H12BrF/c17-16-14-7-3-1-5-11(14)13(9-10-18)12-6-2-4-8-15(12)16/h1-8H,9-10H2
InChIKeyDZQNOKMNVOUKSG-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.17
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
5-Bromoacenaphthene
CID 74923
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(2-fluoroethyl)anthracene?
The IUPAC name of 9-bromo-10-(2-fluoroethyl)anthracene (CID 13291504) is 9-bromo-10-(2-fluoroethyl)anthracene.
What is the SMILES notation for 9-bromo-10-(2-fluoroethyl)anthracene?
The canonical SMILES for 9-bromo-10-(2-fluoroethyl)anthracene is FCCc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 9-bromo-10-(2-fluoroethyl)anthracene?
The InChIKey is DZQNOKMNVOUKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF/c17-16-14-7-3-1-5-11(14)13(9-10-18)12-6-2-4-8-15(12)16/h1-8H,9-10H2.
What are the key properties of 9-bromo-10-(2-fluoroethyl)anthracene?
9-bromo-10-(2-fluoroethyl)anthracene has a molecular weight of 303.17 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(2-fluoroethyl)anthracene is sourced from PubChem (CID 13291504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).