CID 19039083

C18H24Cl2FOSi — CID 19039083

IUPAC—
SMILESFc1cc(OCC2CCC(C3CC[Si](Cl)CC3)CC2)ccc1Cl
InChIInChI=1S/C18H24Cl2FOSi/c19-17-6-5-16(11-18(17)21)22-12-13-1-3-14(4-2-13)15-7-9-23(20)10-8-15/h5-6,11,13-15H,1-4,7-10,12H2
InChIKeyFFLMASJJVPLVCS-UHFFFAOYSA-N
MW374.38 g/mol
LogP6.30
Rot. Bonds4

About CID 19039083

CID 19039083 (PubChem CID 19039083) has the molecular formula C18H24Cl2FOSi and a molecular weight of 374.38 g/mol.

Molecular Properties

Compound NameCID 19039083
PubChem CID19039083
Molecular FormulaC18H24Cl2FOSi
Molecular Weight374.38 g/mol
Exact Mass373.10
IUPAC Name—
SMILESFc1cc(OCC2CCC(C3CC[Si](Cl)CC3)CC2)ccc1Cl
InChIInChI=1S/C18H24Cl2FOSi/c19-17-6-5-16(11-18(17)21)22-12-13-1-3-14(4-2-13)15-7-9-23(20)10-8-15/h5-6,11,13-15H,1-4,7-10,12H2
InChIKeyFFLMASJJVPLVCS-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.38
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 19039083?
The IUPAC name of CID 19039083 (CID 19039083) is not available.
What is the SMILES notation for CID 19039083?
The canonical SMILES for CID 19039083 is Fc1cc(OCC2CCC(C3CC[Si](Cl)CC3)CC2)ccc1Cl.
What is the InChIKey of CID 19039083?
The InChIKey is FFLMASJJVPLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2FOSi/c19-17-6-5-16(11-18(17)21)22-12-13-1-3-14(4-2-13)15-7-9-23(20)10-8-15/h5-6,11,13-15H,1-4,7-10,12H2.
What are the key properties of CID 19039083?
CID 19039083 has a molecular weight of 374.38 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19039083 is sourced from PubChem (CID 19039083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).