2-bromo-4-fluoro-1-phenylnaphthalene

C16H10BrF — CID 86191428

IUPAC2-bromo-4-fluoro-1-phenylnaphthalene
SMILESFc1cc(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H10BrF/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10H
InChIKeyOBYUEXQVNJBVTR-UHFFFAOYSA-N
MW301.16 g/mol
LogP5.41
Rot. Bonds1

About 2-bromo-4-fluoro-1-phenylnaphthalene

2-bromo-4-fluoro-1-phenylnaphthalene (PubChem CID 86191428) has the molecular formula C16H10BrF and a molecular weight of 301.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-phenylnaphthalene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-phenylnaphthalene
PubChem CID86191428
Molecular FormulaC16H10BrF
Molecular Weight301.16 g/mol
Exact Mass299.99
IUPAC Name2-bromo-4-fluoro-1-phenylnaphthalene
SMILESFc1cc(Br)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H10BrF/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10H
InChIKeyOBYUEXQVNJBVTR-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.16
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
2-bromo-1,5-diphenylnaphthalene
CID 151219603
2-bromo-9,10-diphenylanthracene
CID 22247163
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2,4-diiodo-1-phenylnaphthalene
CID 138966123
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
1-(5-bromo-2,4-difluorophenyl)-5-phenylnaphthalene
CID 177290273
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-phenylnaphthalene?
The IUPAC name of 2-bromo-4-fluoro-1-phenylnaphthalene (CID 86191428) is 2-bromo-4-fluoro-1-phenylnaphthalene.
What is the SMILES notation for 2-bromo-4-fluoro-1-phenylnaphthalene?
The canonical SMILES for 2-bromo-4-fluoro-1-phenylnaphthalene is Fc1cc(Br)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-bromo-4-fluoro-1-phenylnaphthalene?
The InChIKey is OBYUEXQVNJBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF/c17-14-10-15(18)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-bromo-4-fluoro-1-phenylnaphthalene?
2-bromo-4-fluoro-1-phenylnaphthalene has a molecular weight of 301.16 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-phenylnaphthalene is sourced from PubChem (CID 86191428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).