[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane

C33H42F4O2Si — CID 91732652

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H42F4O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-19-27-38-40(28-21-15-13-16-22-28,29-23-17-14-18-24-29)39-31-26-20-25-30(32(31)34)33(35,36)37/h13-18,20-26H,2-12,19,27H2,1H3
InChIKeyRVCWCMILPMCQMZ-UHFFFAOYSA-N
MW574.78 g/mol
LogP9.20
Rot. Bonds18

About [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane

[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane (PubChem CID 91732652) has the molecular formula C33H42F4O2Si and a molecular weight of 574.78 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane
PubChem CID91732652
Molecular FormulaC33H42F4O2Si
Molecular Weight574.78 g/mol
Exact Mass574.29
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H42F4O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-19-27-38-40(28-21-15-13-16-22-28,29-23-17-14-18-24-29)39-31-26-20-25-30(32(31)34)33(35,36)37/h13-18,20-26H,2-12,19,27H2,1H3
InChIKeyRVCWCMILPMCQMZ-UHFFFAOYSA-N
XLogP9.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.78
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane (CID 91732652) is [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane?
The InChIKey is RVCWCMILPMCQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F4O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-19-27-38-40(28-21-15-13-16-22-28,29-23-17-14-18-24-29)39-31-26-20-25-30(32(31)34)33(35,36)37/h13-18,20-26H,2-12,19,27H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane has a molecular weight of 574.78 g/mol, XLogP of 9.20, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-tetradecoxysilane is sourced from PubChem (CID 91732652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).