(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane

C18H28BrFOSi — CID 67721113

IUPAC(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane
SMILESCCCC(F)[Si](C)(C)OC1CCC(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C18H28BrFOSi/c1-6-7-17(20)22(4,5)21-16-10-11-18(2,3)15-9-8-13(19)12-14(15)16/h8-9,12,16-17H,6-7,10-11H2,1-5H3
InChIKeySUQGAXKMHNNRPC-UHFFFAOYSA-N
MW387.41 g/mol
LogP6.46
Rot. Bonds5

About (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane

(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane (PubChem CID 67721113) has the molecular formula C18H28BrFOSi and a molecular weight of 387.41 g/mol. Its IUPAC name is (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane.

Molecular Properties

Compound Name(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane
PubChem CID67721113
Molecular FormulaC18H28BrFOSi
Molecular Weight387.41 g/mol
Exact Mass386.11
IUPAC Name(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane
SMILESCCCC(F)[Si](C)(C)OC1CCC(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C18H28BrFOSi/c1-6-7-17(20)22(4,5)21-16-10-11-18(2,3)15-9-8-13(19)12-14(15)16/h8-9,12,16-17H,6-7,10-11H2,1-5H3
InChIKeySUQGAXKMHNNRPC-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane?
The IUPAC name of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane (CID 67721113) is (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane.
What is the SMILES notation for (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane?
The canonical SMILES for (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane is CCCC(F)[Si](C)(C)OC1CCC(C)(C)c2ccc(Br)cc21.
What is the InChIKey of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane?
The InChIKey is SUQGAXKMHNNRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrFOSi/c1-6-7-17(20)22(4,5)21-16-10-11-18(2,3)15-9-8-13(19)12-14(15)16/h8-9,12,16-17H,6-7,10-11H2,1-5H3.
What are the key properties of (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane?
(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane has a molecular weight of 387.41 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)oxy-(1-fluorobutyl)-dimethylsilane is sourced from PubChem (CID 67721113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).