CID 20632264

C21H19F4O2Si — CID 20632264

IUPAC—
SMILESCc1c(F)cc(OC(=O)c2c(F)cc(C3CCC(C[Si])CC3)cc2F)cc1F
InChIInChI=1S/C21H19F4O2Si/c1-11-16(22)8-15(9-17(11)23)27-21(26)20-18(24)6-14(7-19(20)25)13-4-2-12(10-28)3-5-13/h6-9,12-13H,2-5,10H2,1H3
InChIKeyQLFNZXPGHBVPKY-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.63
Rot. Bonds4

About CID 20632264

CID 20632264 (PubChem CID 20632264) has the molecular formula C21H19F4O2Si and a molecular weight of 407.46 g/mol.

Molecular Properties

Compound NameCID 20632264
PubChem CID20632264
Molecular FormulaC21H19F4O2Si
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name—
SMILESCc1c(F)cc(OC(=O)c2c(F)cc(C3CCC(C[Si])CC3)cc2F)cc1F
InChIInChI=1S/C21H19F4O2Si/c1-11-16(22)8-15(9-17(11)23)27-21(26)20-18(24)6-14(7-19(20)25)13-4-2-12(10-28)3-5-13/h6-9,12-13H,2-5,10H2,1H3
InChIKeyQLFNZXPGHBVPKY-UHFFFAOYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;methane
CID 161455344
(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 59915717
(4-methylphenyl) 2,6-difluoro-4-[4-(silylmethyl)cyclohexyl]benzoate
CID 123759954
(6,7-difluoronaphthalen-2-yl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
CID 139853961
(3,4-difluorophenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;molecular hydrogen
CID 159652850
(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;molecular hydrogen
CID 158330944
(4-cyano-3,5-difluorophenyl) 2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698083
(4-ethoxy-3,5-difluorophenyl) 2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698469
(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate
CID 58471578
[3,5-difluoro-4-[(E)-prop-1-enyl]phenyl] 2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzoate
CID 89134831
4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol
CID 70950795
1,3-difluoro-5-[4-(6-fluorohexyl)cyclohexyl]-2-methylbenzene
CID 20663462

Frequently Asked Questions

What is the IUPAC name of CID 20632264?
The IUPAC name of CID 20632264 (CID 20632264) is not available.
What is the SMILES notation for CID 20632264?
The canonical SMILES for CID 20632264 is Cc1c(F)cc(OC(=O)c2c(F)cc(C3CCC(C[Si])CC3)cc2F)cc1F.
What is the InChIKey of CID 20632264?
The InChIKey is QLFNZXPGHBVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4O2Si/c1-11-16(22)8-15(9-17(11)23)27-21(26)20-18(24)6-14(7-19(20)25)13-4-2-12(10-28)3-5-13/h6-9,12-13H,2-5,10H2,1H3.
What are the key properties of CID 20632264?
CID 20632264 has a molecular weight of 407.46 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20632264 is sourced from PubChem (CID 20632264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).