7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene

C25H14Br2F8O2 — CID 89296447

IUPAC7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCOc1c(Br)cc2c(F)c(F)c(F)c(F)c2c1-c1c(OC(C)(C)C)c(Br)cc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C25H14Br2F8O2/c1-25(2,3)37-24-10(27)6-8-12(18(31)22(35)20(33)16(8)29)14(24)13-11-7(5-9(26)23(13)36-4)15(28)19(32)21(34)17(11)30/h5-6H,1-4H3
InChIKeyADXRCEXUTJCLTD-UHFFFAOYSA-N
MW658.18 g/mol
LogP9.48
Rot. Bonds3

About 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene

7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene (PubChem CID 89296447) has the molecular formula C25H14Br2F8O2 and a molecular weight of 658.18 g/mol. Its IUPAC name is 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene.

Molecular Properties

Compound Name7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene
PubChem CID89296447
Molecular FormulaC25H14Br2F8O2
Molecular Weight658.18 g/mol
Exact Mass655.92
IUPAC Name7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCOc1c(Br)cc2c(F)c(F)c(F)c(F)c2c1-c1c(OC(C)(C)C)c(Br)cc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C25H14Br2F8O2/c1-25(2,3)37-24-10(27)6-8-12(18(31)22(35)20(33)16(8)29)14(24)13-11-7(5-9(26)23(13)36-4)15(28)19(32)21(34)17(11)30/h5-6H,1-4H3
InChIKeyADXRCEXUTJCLTD-UHFFFAOYSA-N
XLogP9.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.18
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
CID 10839989
7-Bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 10743041
2,6-Dibromo-1,5-bis(hexyloxy)naphthalene
CID 18332103
3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
CID 135067953
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-[(1-bromonaphthalen-2-yl)oxymethyl]-3,4,5,6,7,8-hexafluoronaphthalene
CID 139248167
9-Bromo-10-(2,6-difluoro-4-methoxyphenyl)phenanthrene
CID 154709387
1-Bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene
CID 164672872
1,1'-Binaphthalene, 6,6'-dibromo-2,2'-dimethoxy-
CID 2794073
Naphthalene, 2-bromo-1-(phenylmethoxy)-
CID 10852638
6-Bromo-1-(6-bromo-2-ethoxynaphthalen-1-yl)-2-ethoxynaphthalene
CID 12118283

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene?
The IUPAC name of 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene (CID 89296447) is 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene.
What is the SMILES notation for 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene?
The canonical SMILES for 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene is COc1c(Br)cc2c(F)c(F)c(F)c(F)c2c1-c1c(OC(C)(C)C)c(Br)cc2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene?
The InChIKey is ADXRCEXUTJCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2F8O2/c1-25(2,3)37-24-10(27)6-8-12(18(31)22(35)20(33)16(8)29)14(24)13-11-7(5-9(26)23(13)36-4)15(28)19(32)21(34)17(11)30/h5-6H,1-4H3.
What are the key properties of 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene?
7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene has a molecular weight of 658.18 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methoxynaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene is sourced from PubChem (CID 89296447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).