hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane

C18H21F3OSi — CID 90170438

IUPAChydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane
SMILESCC(C)[Si](O)(c1ccc(-c2cc(F)c(F)cc2F)cc1)C(C)C
InChIInChI=1S/C18H21F3OSi/c1-11(2)23(22,12(3)4)14-7-5-13(6-8-14)15-9-17(20)18(21)10-16(15)19/h5-12,22H,1-4H3
InChIKeyPLYOVQSVMKEAER-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.74
Rot. Bonds4

About hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane

hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane (PubChem CID 90170438) has the molecular formula C18H21F3OSi and a molecular weight of 338.45 g/mol. Its IUPAC name is hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane.

Molecular Properties

Compound Namehydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane
PubChem CID90170438
Molecular FormulaC18H21F3OSi
Molecular Weight338.45 g/mol
Exact Mass338.13
IUPAC Namehydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane
SMILESCC(C)[Si](O)(c1ccc(-c2cc(F)c(F)cc2F)cc1)C(C)C
InChIInChI=1S/C18H21F3OSi/c1-11(2)23(22,12(3)4)14-7-5-13(6-8-14)15-9-17(20)18(21)10-16(15)19/h5-12,22H,1-4H3
InChIKeyPLYOVQSVMKEAER-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane?
The IUPAC name of hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane (CID 90170438) is hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane.
What is the SMILES notation for hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane?
The canonical SMILES for hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane is CC(C)[Si](O)(c1ccc(-c2cc(F)c(F)cc2F)cc1)C(C)C.
What is the InChIKey of hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane?
The InChIKey is PLYOVQSVMKEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3OSi/c1-11(2)23(22,12(3)4)14-7-5-13(6-8-14)15-9-17(20)18(21)10-16(15)19/h5-12,22H,1-4H3.
What are the key properties of hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane?
hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane has a molecular weight of 338.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane is sourced from PubChem (CID 90170438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).