CID 22924542

C21H21F4OSi — CID 22924542

IUPAC—
SMILESC/C=C/[Si]1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C21H21F4OSi/c1-2-11-27-12-9-17(10-13-27)15-3-5-16(6-4-15)18-7-8-20(19(22)14-18)26-21(23,24)25/h2-8,11,14,17H,9-10,12-13H2,1H3/b11-2+
InChIKeyOGVNOMVWKFIXMG-BIIKFXOESA-N
MW393.48 g/mol
LogP6.88
Rot. Bonds4

About CID 22924542

CID 22924542 (PubChem CID 22924542) has the molecular formula C21H21F4OSi and a molecular weight of 393.48 g/mol.

Molecular Properties

Compound NameCID 22924542
PubChem CID22924542
Molecular FormulaC21H21F4OSi
Molecular Weight393.48 g/mol
Exact Mass393.13
IUPAC Name—
SMILESC/C=C/[Si]1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C21H21F4OSi/c1-2-11-27-12-9-17(10-13-27)15-3-5-16(6-4-15)18-7-8-20(19(22)14-18)26-21(23,24)25/h2-8,11,14,17H,9-10,12-13H2,1H3/b11-2+
InChIKeyOGVNOMVWKFIXMG-BIIKFXOESA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 22924542 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

4-[4-[4-(2-chloroethenyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 54283723
(2R,4aR,8aR)-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809401
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
2-fluoro-4-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]-1-(trifluoromethoxy)benzene
CID 19702571
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2-but-3-enyl-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866202
5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 118283158
2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
CID 58555666
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870233
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
CID 22404137
CID 22404137

Frequently Asked Questions

What is the IUPAC name of CID 22924542?
The IUPAC name of CID 22924542 (CID 22924542) is not available.
What is the SMILES notation for CID 22924542?
The canonical SMILES for CID 22924542 is C/C=C/[Si]1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of CID 22924542?
The InChIKey is OGVNOMVWKFIXMG-BIIKFXOESA-N. The full InChI is InChI=1S/C21H21F4OSi/c1-2-11-27-12-9-17(10-13-27)15-3-5-16(6-4-15)18-7-8-20(19(22)14-18)26-21(23,24)25/h2-8,11,14,17H,9-10,12-13H2,1H3/b11-2+.
What are the key properties of CID 22924542?
CID 22924542 has a molecular weight of 393.48 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22924542 is sourced from PubChem (CID 22924542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).