8-bromo-1,2,3,4-tetrafluorophenanthrene

C14H5BrF4 — CID 172880346

IUPAC8-bromo-1,2,3,4-tetrafluorophenanthrene
SMILESFc1c(F)c(F)c2c(ccc3c(Br)cccc32)c1F
InChIInChI=1S/C14H5BrF4/c15-9-3-1-2-7-6(9)4-5-8-10(7)12(17)14(19)13(18)11(8)16/h1-5H
InChIKeyMOIAJDSQRUPAAZ-UHFFFAOYSA-N
MW329.09 g/mol
LogP5.31
Rot. Bonds

About 8-bromo-1,2,3,4-tetrafluorophenanthrene

8-bromo-1,2,3,4-tetrafluorophenanthrene (PubChem CID 172880346) has the molecular formula C14H5BrF4 and a molecular weight of 329.09 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrafluorophenanthrene.

Molecular Properties

Compound Name8-bromo-1,2,3,4-tetrafluorophenanthrene
PubChem CID172880346
Molecular FormulaC14H5BrF4
Molecular Weight329.09 g/mol
Exact Mass327.95
IUPAC Name8-bromo-1,2,3,4-tetrafluorophenanthrene
SMILESFc1c(F)c(F)c2c(ccc3c(Br)cccc32)c1F
InChIInChI=1S/C14H5BrF4/c15-9-3-1-2-7-6(9)4-5-8-10(7)12(17)14(19)13(18)11(8)16/h1-5H
InChIKeyMOIAJDSQRUPAAZ-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.09
LogP ≤ 55.31
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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-Bromonaphthalene
CID 7001
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898
Pyrene, 1,6-Dibromo-
CID 176470

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrafluorophenanthrene?
The IUPAC name of 8-bromo-1,2,3,4-tetrafluorophenanthrene (CID 172880346) is 8-bromo-1,2,3,4-tetrafluorophenanthrene.
What is the SMILES notation for 8-bromo-1,2,3,4-tetrafluorophenanthrene?
The canonical SMILES for 8-bromo-1,2,3,4-tetrafluorophenanthrene is Fc1c(F)c(F)c2c(ccc3c(Br)cccc32)c1F.
What is the InChIKey of 8-bromo-1,2,3,4-tetrafluorophenanthrene?
The InChIKey is MOIAJDSQRUPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5BrF4/c15-9-3-1-2-7-6(9)4-5-8-10(7)12(17)14(19)13(18)11(8)16/h1-5H.
What are the key properties of 8-bromo-1,2,3,4-tetrafluorophenanthrene?
8-bromo-1,2,3,4-tetrafluorophenanthrene has a molecular weight of 329.09 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,4-tetrafluorophenanthrene is sourced from PubChem (CID 172880346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).