[3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane

C16H25BrF2O2Si — CID 66717565

IUPAC[3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)COCc1ccc(Br)cc1
InChIInChI=1S/C16H25BrF2O2Si/c1-15(2,3)22(4,5)21-12-16(18,19)11-20-10-13-6-8-14(17)9-7-13/h6-9H,10-12H2,1-5H3
InChIKeyKZCBMRXVFCDOEI-UHFFFAOYSA-N
MW395.36 g/mol
LogP5.62
Rot. Bonds7

About [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane

[3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane (PubChem CID 66717565) has the molecular formula C16H25BrF2O2Si and a molecular weight of 395.36 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane
PubChem CID66717565
Molecular FormulaC16H25BrF2O2Si
Molecular Weight395.36 g/mol
Exact Mass394.08
IUPAC Name[3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)COCc1ccc(Br)cc1
InChIInChI=1S/C16H25BrF2O2Si/c1-15(2,3)22(4,5)21-12-16(18,19)11-20-10-13-6-8-14(17)9-7-13/h6-9H,10-12H2,1-5H3
InChIKeyKZCBMRXVFCDOEI-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane (CID 66717565) is [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)COCc1ccc(Br)cc1.
What is the InChIKey of [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane?
The InChIKey is KZCBMRXVFCDOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrF2O2Si/c1-15(2,3)22(4,5)21-12-16(18,19)11-20-10-13-6-8-14(17)9-7-13/h6-9H,10-12H2,1-5H3.
What are the key properties of [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane?
[3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane has a molecular weight of 395.36 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methoxy]-2,2-difluoropropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 66717565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).