8-bromo-1,3-difluorophenanthrene

C14H7BrF2 — CID 11471891

IUPAC8-bromo-1,3-difluorophenanthrene
SMILESFc1cc(F)c2ccc3c(Br)cccc3c2c1
InChIInChI=1S/C14H7BrF2/c15-13-3-1-2-9-10(13)4-5-11-12(9)6-8(16)7-14(11)17/h1-7H
InChIKeyRDJQONYJCQKGHA-UHFFFAOYSA-N
MW293.11 g/mol
LogP5.03
Rot. Bonds

About 8-bromo-1,3-difluorophenanthrene

8-bromo-1,3-difluorophenanthrene (PubChem CID 11471891) has the molecular formula C14H7BrF2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 8-bromo-1,3-difluorophenanthrene.

Molecular Properties

Compound Name8-bromo-1,3-difluorophenanthrene
PubChem CID11471891
Molecular FormulaC14H7BrF2
Molecular Weight293.11 g/mol
Exact Mass291.97
IUPAC Name8-bromo-1,3-difluorophenanthrene
SMILESFc1cc(F)c2ccc3c(Br)cccc3c2c1
InChIInChI=1S/C14H7BrF2/c15-13-3-1-2-9-10(13)4-5-11-12(9)6-8(16)7-14(11)17/h1-7H
InChIKeyRDJQONYJCQKGHA-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.11
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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
1-Bromo-4-methylnaphthalene
CID 81112
1,8-Dibromonaphthalene
CID 625356
1,5-Dibromonaphthalene
CID 637960

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,3-difluorophenanthrene?
The IUPAC name of 8-bromo-1,3-difluorophenanthrene (CID 11471891) is 8-bromo-1,3-difluorophenanthrene.
What is the SMILES notation for 8-bromo-1,3-difluorophenanthrene?
The canonical SMILES for 8-bromo-1,3-difluorophenanthrene is Fc1cc(F)c2ccc3c(Br)cccc3c2c1.
What is the InChIKey of 8-bromo-1,3-difluorophenanthrene?
The InChIKey is RDJQONYJCQKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2/c15-13-3-1-2-9-10(13)4-5-11-12(9)6-8(16)7-14(11)17/h1-7H.
What are the key properties of 8-bromo-1,3-difluorophenanthrene?
8-bromo-1,3-difluorophenanthrene has a molecular weight of 293.11 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3-difluorophenanthrene is sourced from PubChem (CID 11471891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).