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

C25H14Br2F8O — CID 89296444

IUPAC7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCc1c(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/C25H14Br2F8O/c1-7-10(26)5-8-13(18(30)22(34)20(32)16(8)28)12(7)15-14-9(17(29)21(33)23(35)19(14)31)6-11(27)24(15)36-25(2,3)4/h5-6H,1-4H3
InChIKeyMUIAIEITPZAHFU-UHFFFAOYSA-N
MW642.18 g/mol
LogP9.78
Rot. Bonds2

About 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-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-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene (PubChem CID 89296444) has the molecular formula C25H14Br2F8O and a molecular weight of 642.18 g/mol. Its IUPAC name is 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-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-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene
PubChem CID89296444
Molecular FormulaC25H14Br2F8O
Molecular Weight642.18 g/mol
Exact Mass639.93
IUPAC Name7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCc1c(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/C25H14Br2F8O/c1-7-10(26)5-8-13(18(30)22(34)20(32)16(8)28)12(7)15-14-9(17(29)21(33)23(35)19(14)31)6-11(27)24(15)36-25(2,3)4/h5-6H,1-4H3
InChIKeyMUIAIEITPZAHFU-UHFFFAOYSA-N
XLogP9.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.18
LogP ≤ 59.78
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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-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-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene (CID 89296444) is 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-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-methylnaphthalen-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-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene is Cc1c(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-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene?
The InChIKey is MUIAIEITPZAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2F8O/c1-7-10(26)5-8-13(18(30)22(34)20(32)16(8)28)12(7)15-14-9(17(29)21(33)23(35)19(14)31)6-11(27)24(15)36-25(2,3)4/h5-6H,1-4H3.
What are the key properties of 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-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-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene has a molecular weight of 642.18 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(3-bromo-5,6,7,8-tetrafluoro-2-methylnaphthalen-1-yl)-1,2,3,4-tetrafluoro-6-[(2-methylpropan-2-yl)oxy]naphthalene is sourced from PubChem (CID 89296444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).