CID 19039120

C22H31F6O2Si — CID 19039120

IUPAC—
SMILESCCCCCCC[Si]1CCC(COc2ccc(OCC(F)(F)C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C22H31F6O2Si/c1-2-3-4-5-6-11-31-12-9-17(10-13-31)15-29-18-7-8-20(19(23)14-18)30-16-21(24,25)22(26,27)28/h7-8,14,17H,2-6,9-13,15-16H2,1H3
InChIKeyFIVANTWSJHONBP-UHFFFAOYSA-N
MW469.56 g/mol
LogP7.66
Rot. Bonds12

About CID 19039120

CID 19039120 (PubChem CID 19039120) has the molecular formula C22H31F6O2Si and a molecular weight of 469.56 g/mol.

Molecular Properties

Compound NameCID 19039120
PubChem CID19039120
Molecular FormulaC22H31F6O2Si
Molecular Weight469.56 g/mol
Exact Mass469.20
IUPAC Name—
SMILESCCCCCCC[Si]1CCC(COc2ccc(OCC(F)(F)C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C22H31F6O2Si/c1-2-3-4-5-6-11-31-12-9-17(10-13-31)15-29-18-7-8-20(19(23)14-18)30-16-21(24,25)22(26,27)28/h7-8,14,17H,2-6,9-13,15-16H2,1H3
InChIKeyFIVANTWSJHONBP-UHFFFAOYSA-N
XLogP7.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 19039120 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

CID 19039059
CID 19039059
CID 19593831
CID 19593831
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
CID 22913746
CID 22913746
2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
CID 67791114
1-(4-butoxycyclohexyl)-2,3-difluoro-4-[4-[(3-fluoro-4-pent-4-enoxyphenoxy)methyl]cyclohexyl]benzene
CID 89430953
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
CID 22913817
CID 22913817
CID 19419990
CID 19419990
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
CID 22913907
CID 22913907

Frequently Asked Questions

What is the IUPAC name of CID 19039120?
The IUPAC name of CID 19039120 (CID 19039120) is not available.
What is the SMILES notation for CID 19039120?
The canonical SMILES for CID 19039120 is CCCCCCC[Si]1CCC(COc2ccc(OCC(F)(F)C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of CID 19039120?
The InChIKey is FIVANTWSJHONBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F6O2Si/c1-2-3-4-5-6-11-31-12-9-17(10-13-31)15-29-18-7-8-20(19(23)14-18)30-16-21(24,25)22(26,27)28/h7-8,14,17H,2-6,9-13,15-16H2,1H3.
What are the key properties of CID 19039120?
CID 19039120 has a molecular weight of 469.56 g/mol, XLogP of 7.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19039120 is sourced from PubChem (CID 19039120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).