2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene

C22H10Br2Cl2F2 — CID 154709390

IUPAC2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
SMILESFc1cc(Cl)ccc1-c1cc2cc(-c3ccc(Cl)cc3F)c(Br)cc2cc1Br
InChIInChI=1S/C22H10Br2Cl2F2/c23-19-7-12-8-20(24)18(16-4-2-14(26)10-22(16)28)6-11(12)5-17(19)15-3-1-13(25)9-21(15)27/h1-10H
InChIKeyUZJRSEMOQBMXID-UHFFFAOYSA-N
MW543.03 g/mol
LogP9.28
Rot. Bonds2

About 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene

2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene (PubChem CID 154709390) has the molecular formula C22H10Br2Cl2F2 and a molecular weight of 543.03 g/mol. Its IUPAC name is 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene.

Molecular Properties

Compound Name2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
PubChem CID154709390
Molecular FormulaC22H10Br2Cl2F2
Molecular Weight543.03 g/mol
Exact Mass539.85
IUPAC Name2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
SMILESFc1cc(Cl)ccc1-c1cc2cc(-c3ccc(Cl)cc3F)c(Br)cc2cc1Br
InChIInChI=1S/C22H10Br2Cl2F2/c23-19-7-12-8-20(24)18(16-4-2-14(26)10-22(16)28)6-11(12)5-17(19)15-3-1-13(25)9-21(15)27/h1-10H
InChIKeyUZJRSEMOQBMXID-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.03
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
1,5-Dibromo-2,4-bis(4-chloro-2-fluorophenyl)benzene
CID 154709388
1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
1-(2-Bromonaphthalen-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)naphthalene
CID 11202815
3,3'-Dibromo-1,1'-difluoro-2,2'-binaphthalene
CID 11655278
4,25-Dibromo-13,16-difluorohexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 134962821
7,20-Dibromo-4,17-difluorohexacyclo[12.12.0.02,11.03,8.015,24.016,21]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaene
CID 134962861
5-Bromo-2-fluoro-12-(4-fluorophenyl)tetracene
CID 139095399
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
2-Bromo-3-(4-chlorophenyl)naphthalene
CID 134947736
9-Bromo-10-(4-fluorophenyl)anthracene
CID 21076367
1-[4-(4-Bromophenyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-3-[4-(4-fluorophenyl)phenyl]-6-[4-(4-methylphenyl)phenyl]-4-phenyl-5-[4-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 54374976

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene?
The IUPAC name of 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene (CID 154709390) is 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene.
What is the SMILES notation for 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene?
The canonical SMILES for 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene is Fc1cc(Cl)ccc1-c1cc2cc(-c3ccc(Cl)cc3F)c(Br)cc2cc1Br.
What is the InChIKey of 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene?
The InChIKey is UZJRSEMOQBMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Br2Cl2F2/c23-19-7-12-8-20(24)18(16-4-2-14(26)10-22(16)28)6-11(12)5-17(19)15-3-1-13(25)9-21(15)27/h1-10H.
What are the key properties of 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene?
2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene has a molecular weight of 543.03 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene is sourced from PubChem (CID 154709390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).