7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene

C23H10Br2F8O2 — CID 89303769

IUPAC7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene
SMILESCCOc1c(Br)cc2c(F)c(F)c(F)c(F)c2c1-c1c(OC)c(Br)cc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C23H10Br2F8O2/c1-3-35-23-9(25)5-7-11(17(29)21(33)19(31)15(7)27)13(23)12-10-6(4-8(24)22(12)34-2)14(26)18(30)20(32)16(10)28/h4-5H,3H2,1-2H3
InChIKeyBAWIRCGFDNSPNB-UHFFFAOYSA-N
MW630.12 g/mol
LogP8.71
Rot. Bonds4

About 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene

7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene (PubChem CID 89303769) has the molecular formula C23H10Br2F8O2 and a molecular weight of 630.12 g/mol. Its IUPAC name is 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene.

Molecular Properties

Compound Name7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene
PubChem CID89303769
Molecular FormulaC23H10Br2F8O2
Molecular Weight630.12 g/mol
Exact Mass627.89
IUPAC Name7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene
SMILESCCOc1c(Br)cc2c(F)c(F)c(F)c(F)c2c1-c1c(OC)c(Br)cc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C23H10Br2F8O2/c1-3-35-23-9(25)5-7-11(17(29)21(33)19(31)15(7)27)13(23)12-10-6(4-8(24)22(12)34-2)14(26)18(30)20(32)16(10)28/h4-5H,3H2,1-2H3
InChIKeyBAWIRCGFDNSPNB-UHFFFAOYSA-N
XLogP8.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.12
LogP ≤ 58.71
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'}

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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
[4-(3-Bromo-2-methoxynaphthalen-1-yl)-3-methoxynaphthalen-2-yl]methanol
CID 1818744
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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene?
The IUPAC name of 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene (CID 89303769) is 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene.
What is the SMILES notation for 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene?
The canonical SMILES for 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene is CCOc1c(Br)cc2c(F)c(F)c(F)c(F)c2c1-c1c(OC)c(Br)cc2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene?
The InChIKey is BAWIRCGFDNSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H10Br2F8O2/c1-3-35-23-9(25)5-7-11(17(29)21(33)19(31)15(7)27)13(23)12-10-6(4-8(24)22(12)34-2)14(26)18(30)20(32)16(10)28/h4-5H,3H2,1-2H3.
What are the key properties of 7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene?
7-bromo-5-(3-bromo-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene has a molecular weight of 630.12 g/mol, XLogP of 8.71, 4 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-2-ethoxy-5,6,7,8-tetrafluoronaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-methoxynaphthalene is sourced from PubChem (CID 89303769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).