CID 53425747

C14H12F5OSi — CID 53425747

IUPAC—
SMILESC[Si](C)OC1(F)C(F)=C(F)C(F)=C(F)C1c1ccccc1
InChIInChI=1S/C14H12F5OSi/c1-21(2)20-14(19)9(8-6-4-3-5-7-8)10(15)11(16)12(17)13(14)18/h3-7,9H,1-2H3
InChIKeyMNFVTVCQYFALHO-UHFFFAOYSA-N
MW319.33 g/mol
LogP5.02
Rot. Bonds3

About CID 53425747

CID 53425747 (PubChem CID 53425747) has the molecular formula C14H12F5OSi and a molecular weight of 319.33 g/mol.

Molecular Properties

Compound NameCID 53425747
PubChem CID53425747
Molecular FormulaC14H12F5OSi
Molecular Weight319.33 g/mol
Exact Mass319.06
IUPAC Name—
SMILESC[Si](C)OC1(F)C(F)=C(F)C(F)=C(F)C1c1ccccc1
InChIInChI=1S/C14H12F5OSi/c1-21(2)20-14(19)9(8-6-4-3-5-7-8)10(15)11(16)12(17)13(14)18/h3-7,9H,1-2H3
InChIKeyMNFVTVCQYFALHO-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 53425747 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane
CID 57353025
(2,2-difluorocyclobutyl)benzene
CID 91804683
2,2-dimethyl-1,3-diphenyl-1,3-dihydroindene
CID 20781734
(2-fluoro-2-methoxycyclopropyl)benzene
CID 174280864
diphenyliodanium;ethane;methane
CID 159636739
(4S,5S)-5-fluoro-2,5-dimethyl-3-methylsulfanyl-4-phenylcyclopent-2-en-1-one
CID 100963515
(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol
CID 138979310
ethane;2-phenyloxirane
CID 54171856
ethane;phenyl hypofluorite
CID 143612065
trans-ethyl (1R,2R)-4,4-difluoro-2-phenylcyclohexane-1-carboxylate
CID 156633883
CID 102411594
CID 102411594
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354

Frequently Asked Questions

What is the IUPAC name of CID 53425747?
The IUPAC name of CID 53425747 (CID 53425747) is not available.
What is the SMILES notation for CID 53425747?
The canonical SMILES for CID 53425747 is C[Si](C)OC1(F)C(F)=C(F)C(F)=C(F)C1c1ccccc1.
What is the InChIKey of CID 53425747?
The InChIKey is MNFVTVCQYFALHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5OSi/c1-21(2)20-14(19)9(8-6-4-3-5-7-8)10(15)11(16)12(17)13(14)18/h3-7,9H,1-2H3.
What are the key properties of CID 53425747?
CID 53425747 has a molecular weight of 319.33 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53425747 is sourced from PubChem (CID 53425747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).