(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane

C16H25BrClFOSi — CID 53329584

IUPAC(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1cc(Br)c(F)cc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C16H25BrClFOSi/c1-10(2)21(11(3)4,12(5)6)20-9-13-7-14(17)16(19)8-15(13)18/h7-8,10-12H,9H2,1-6H3
InChIKeyOIZVDFFJOYCVCL-UHFFFAOYSA-N
MW395.82 g/mol
LogP6.93
Rot. Bonds6

About (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane

(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane (PubChem CID 53329584) has the molecular formula C16H25BrClFOSi and a molecular weight of 395.82 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane
PubChem CID53329584
Molecular FormulaC16H25BrClFOSi
Molecular Weight395.82 g/mol
Exact Mass394.05
IUPAC Name(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1cc(Br)c(F)cc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C16H25BrClFOSi/c1-10(2)21(11(3)4,12(5)6)20-9-13-7-14(17)16(19)8-15(13)18/h7-8,10-12H,9H2,1-6H3
InChIKeyOIZVDFFJOYCVCL-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
2-chloro-6-fluoro-4-[tri(propan-2-yl)silyloxymethyl]benzoic acid
CID 167729506
bis[2-(5-bromo-2-chloro-4-fluorophenyl)ethyl] carbonate
CID 118658797
2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
CID 168914954
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
2-(4-bromo-2-chloro-5-fluorophenoxy)propan-1-amine
CID 126976561
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]piperazine
CID 117492577
5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
CID 103482999
(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
CID 54379718
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
methyl N-(3-chloro-4-fluorophenyl)-5-[tri(propan-2-yl)silyloxymethyl]thiadiazole-4-carboximidothioate
CID 58941825

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane (CID 53329584) is (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1cc(Br)c(F)cc1Cl)(C(C)C)C(C)C.
What is the InChIKey of (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane?
The InChIKey is OIZVDFFJOYCVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClFOSi/c1-10(2)21(11(3)4,12(5)6)20-9-13-7-14(17)16(19)8-15(13)18/h7-8,10-12H,9H2,1-6H3.
What are the key properties of (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane?
(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane has a molecular weight of 395.82 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 53329584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).