4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one

C10H13F3O2Si — CID 23237044

IUPAC4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one
SMILESC[Si](C)(C)OC1(C(F)(F)F)C=CC(=O)C=C1
InChIInChI=1S/C10H13F3O2Si/c1-16(2,3)15-9(10(11,12)13)6-4-8(14)5-7-9/h4-7H,1-3H3
InChIKeyYGSABBPQDSGSGN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.83
Rot. Bonds2

About 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one

4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one (PubChem CID 23237044) has the molecular formula C10H13F3O2Si and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one
PubChem CID23237044
Molecular FormulaC10H13F3O2Si
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one
SMILESC[Si](C)(C)OC1(C(F)(F)F)C=CC(=O)C=C1
InChIInChI=1S/C10H13F3O2Si/c1-16(2,3)15-9(10(11,12)13)6-4-8(14)5-7-9/h4-7H,1-3H3
InChIKeyYGSABBPQDSGSGN-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.83
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 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one (CID 23237044) is 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one is C[Si](C)(C)OC1(C(F)(F)F)C=CC(=O)C=C1.
What is the InChIKey of 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one?
The InChIKey is YGSABBPQDSGSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2Si/c1-16(2,3)15-9(10(11,12)13)6-4-8(14)5-7-9/h4-7H,1-3H3.
What are the key properties of 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one?
4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one has a molecular weight of 250.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-4-trimethylsilyloxycyclohexa-2,5-dien-1-one is sourced from PubChem (CID 23237044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).