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

C14H21F3OSi — CID 90172693

IUPAChydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
SMILESCC(C)[Si](O)(CCc1cc(F)c(F)cc1F)C(C)C
InChIInChI=1S/C14H21F3OSi/c1-9(2)19(18,10(3)4)6-5-11-7-13(16)14(17)8-12(11)15/h7-10,18H,5-6H2,1-4H3
InChIKeyBITQICGOXRGSKG-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.40
Rot. Bonds5

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

hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane (PubChem CID 90172693) has the molecular formula C14H21F3OSi and a molecular weight of 290.40 g/mol. Its IUPAC name is hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane.

Molecular Properties

Compound Namehydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
PubChem CID90172693
Molecular FormulaC14H21F3OSi
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Namehydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
SMILESCC(C)[Si](O)(CCc1cc(F)c(F)cc1F)C(C)C
InChIInChI=1S/C14H21F3OSi/c1-9(2)19(18,10(3)4)6-5-11-7-13(16)14(17)8-12(11)15/h7-10,18H,5-6H2,1-4H3
InChIKeyBITQICGOXRGSKG-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.40
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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Related Compounds

hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90171446
4-(2,4,5-trifluorophenyl)butan-2-ylcarbamic acid
CID 90734315
hydroxy-di(propan-2-yl)-(2,4,5-trifluorophenyl)silane
CID 90173314
hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane
CID 90171678
phosphoric acid;4-(2,4,5-trifluorophenyl)butan-2-amine;hydrate
CID 89253544
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826

Frequently Asked Questions

What is the IUPAC name of hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane?
The IUPAC name of hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane (CID 90172693) is hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane.
What is the SMILES notation for hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane?
The canonical SMILES for hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane is CC(C)[Si](O)(CCc1cc(F)c(F)cc1F)C(C)C.
What is the InChIKey of hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane?
The InChIKey is BITQICGOXRGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3OSi/c1-9(2)19(18,10(3)4)6-5-11-7-13(16)14(17)8-12(11)15/h7-10,18H,5-6H2,1-4H3.
What are the key properties of hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane?
hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane has a molecular weight of 290.40 g/mol, XLogP of 4.40, 5 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)-[2-(2,4,5-trifluorophenyl)ethyl]silane is sourced from PubChem (CID 90172693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).