CID 175457600

C14H17BF3O4Si — CID 175457600

IUPAC—
SMILESCC1(C)OB(c2ccc(OC(F)(F)F)c(CO[Si])c2)OC1(C)C
InChIInChI=1S/C14H17BF3O4Si/c1-12(2)13(3,4)22-15(21-12)10-5-6-11(20-14(16,17)18)9(7-10)8-19-23/h5-7H,8H2,1-4H3
InChIKeyVPLPSDWAXFHOLO-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.48
Rot. Bonds4

About CID 175457600

CID 175457600 (PubChem CID 175457600) has the molecular formula C14H17BF3O4Si and a molecular weight of 345.18 g/mol.

Molecular Properties

Compound NameCID 175457600
PubChem CID175457600
Molecular FormulaC14H17BF3O4Si
Molecular Weight345.18 g/mol
Exact Mass345.09
IUPAC Name—
SMILESCC1(C)OB(c2ccc(OC(F)(F)F)c(CO[Si])c2)OC1(C)C
InChIInChI=1S/C14H17BF3O4Si/c1-12(2)13(3,4)22-15(21-12)10-5-6-11(20-14(16,17)18)9(7-10)8-19-23/h5-7H,8H2,1-4H3
InChIKeyVPLPSDWAXFHOLO-UHFFFAOYSA-N
XLogP2.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 150908968
[2-(1,1-difluoroethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 162611613
4,4,5,5-tetramethyl-2-[4-propoxy-3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
CID 91526823
[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite
CID 145420344
4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
CID 2760602
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenoxy]ethanol
CID 67294073
4,4,5,5-tetramethyl-2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 58494057
2-[3,4-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56973217
4,4,5,5-tetramethyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3,2-dioxaborolane
CID 156643582
2-[4-[1-(3,4-dichlorophenyl)ethoxy]-3-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171814117
tert-butyl N-ethyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenyl]methyl]carbamate
CID 162623448
2-[3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249704

Frequently Asked Questions

What is the IUPAC name of CID 175457600?
The IUPAC name of CID 175457600 (CID 175457600) is not available.
What is the SMILES notation for CID 175457600?
The canonical SMILES for CID 175457600 is CC1(C)OB(c2ccc(OC(F)(F)F)c(CO[Si])c2)OC1(C)C.
What is the InChIKey of CID 175457600?
The InChIKey is VPLPSDWAXFHOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BF3O4Si/c1-12(2)13(3,4)22-15(21-12)10-5-6-11(20-14(16,17)18)9(7-10)8-19-23/h5-7H,8H2,1-4H3.
What are the key properties of CID 175457600?
CID 175457600 has a molecular weight of 345.18 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175457600 is sourced from PubChem (CID 175457600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).