1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene

C11H3BrF6O — CID 139248163

IUPAC1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene
SMILESCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1Br
InChIInChI=1S/C11H3BrF6O/c1-19-11-4(12)2-3(7(15)10(11)18)6(14)9(17)8(16)5(2)13/h1H3
InChIKeyYFXRSJWNDKVKBI-UHFFFAOYSA-N
MW345.04 g/mol
LogP4.45
Rot. Bonds1

About 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene

1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene (PubChem CID 139248163) has the molecular formula C11H3BrF6O and a molecular weight of 345.04 g/mol. Its IUPAC name is 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene.

Molecular Properties

Compound Name1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene
PubChem CID139248163
Molecular FormulaC11H3BrF6O
Molecular Weight345.04 g/mol
Exact Mass343.93
IUPAC Name1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene
SMILESCOc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1Br
InChIInChI=1S/C11H3BrF6O/c1-19-11-4(12)2-3(7(15)10(11)18)6(14)9(17)8(16)5(2)13/h1H3
InChIKeyYFXRSJWNDKVKBI-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.04
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2-methoxynaphthalene
CID 72860
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
1-Bromo-6-methoxynaphthalene
CID 288221
1,2,3,4,5,6,8-Heptafluoro-7-methoxynaphthalene
CID 12954351
1,5-Dibromo-2,6-dimethoxynaphthalene
CID 631444
1-Bromo-3,4,5,6,7,8-hexafluoro-2-naphthalen-2-ol
CID 139248157
1-Bromo-2-[(1-bromo-3,4,5,6,7,8-hexafluoronaphthalen-2-yl)methoxy]-3,4,5,6,7,8-hexafluoronaphthalene
CID 139248166
1-Bromo-2-methoxy-6-(trifluoromethyl)naphthalene
CID 14982609
5-Bromo-1,2,3-trifluoro-6-methoxynaphthalene
CID 11162106
Naphthalene, 6-bromo-1-fluoro-2-methoxy-
CID 11219025
2-Bromo-5-fluoro-6-trifluoromethoxynaphthalene
CID 21870154
6-Bromo-1,3-difluoro-2-methoxynaphthalene
CID 21871383

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene?
The IUPAC name of 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene (CID 139248163) is 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene.
What is the SMILES notation for 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene?
The canonical SMILES for 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene is COc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1Br.
What is the InChIKey of 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene?
The InChIKey is YFXRSJWNDKVKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3BrF6O/c1-19-11-4(12)2-3(7(15)10(11)18)6(14)9(17)8(16)5(2)13/h1H3.
What are the key properties of 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene?
1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene has a molecular weight of 345.04 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4,5,6,7,8-hexafluoro-2-methoxynaphthalene is sourced from PubChem (CID 139248163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).