1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene

C16H9BrClF — CID 154709386

IUPAC1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene
SMILESFc1cc(Cl)ccc1-c1ccc2ccccc2c1Br
InChIInChI=1S/C16H9BrClF/c17-16-12-4-2-1-3-10(12)5-7-14(16)13-8-6-11(18)9-15(13)19/h1-9H
InChIKeyXTOFXCIZOXUPTR-UHFFFAOYSA-N
MW335.60 g/mol
LogP6.06
Rot. Bonds1

About 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene

1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene (PubChem CID 154709386) has the molecular formula C16H9BrClF and a molecular weight of 335.60 g/mol. Its IUPAC name is 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene.

Molecular Properties

Compound Name1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene
PubChem CID154709386
Molecular FormulaC16H9BrClF
Molecular Weight335.60 g/mol
Exact Mass333.96
IUPAC Name1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene
SMILESFc1cc(Cl)ccc1-c1ccc2ccccc2c1Br
InChIInChI=1S/C16H9BrClF/c17-16-12-4-2-1-3-10(12)5-7-14(16)13-8-6-11(18)9-15(13)19/h1-9H
InChIKeyXTOFXCIZOXUPTR-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.60
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10-Bromo-1,8-dichloroanthracene
CID 15939690
8-Bromo-1,3-difluorophenanthrene
CID 11471891
1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
2,7-Dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
CID 154709390
9-Bromo-10-chloroanthracene
CID 14790560
9-Bromo-10-(2-fluoroethyl)anthracene
CID 13291504
4-Bromo-1-fluorobenzo[c]phenanthrene
CID 13383951
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
8-Bromo-1,2,3,4-tetrafluorophenanthrene
CID 172880346
3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene
CID 102300284
1-Bromo-2-phenylnaphthalene
CID 10956972
2-Bromo-3-(4-chlorophenyl)naphthalene
CID 134947736

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene?
The IUPAC name of 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene (CID 154709386) is 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene.
What is the SMILES notation for 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene?
The canonical SMILES for 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene is Fc1cc(Cl)ccc1-c1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene?
The InChIKey is XTOFXCIZOXUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF/c17-16-12-4-2-1-3-10(12)5-7-14(16)13-8-6-11(18)9-15(13)19/h1-9H.
What are the key properties of 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene?
1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene has a molecular weight of 335.60 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-chloro-2-fluorophenyl)naphthalene is sourced from PubChem (CID 154709386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).