CID 155601461

C10H9FIO2Si — CID 155601461

IUPAC—
SMILESO=C(OCCC[Si])c1cc(F)ccc1I
InChIInChI=1S/C10H9FIO2Si/c11-7-2-3-9(12)8(6-7)10(13)14-4-1-5-15/h2-3,6H,1,4-5H2
InChIKeyOVBLGIZOBFQGJZ-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.56
Rot. Bonds4

About CID 155601461

CID 155601461 (PubChem CID 155601461) has the molecular formula C10H9FIO2Si and a molecular weight of 335.17 g/mol.

Molecular Properties

Compound NameCID 155601461
PubChem CID155601461
Molecular FormulaC10H9FIO2Si
Molecular Weight335.17 g/mol
Exact Mass334.94
IUPAC Name—
SMILESO=C(OCCC[Si])c1cc(F)ccc1I
InChIInChI=1S/C10H9FIO2Si/c11-7-2-3-9(12)8(6-7)10(13)14-4-1-5-15/h2-3,6H,1,4-5H2
InChIKeyOVBLGIZOBFQGJZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.56
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 155601237
CID 155601237
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
CID 91716914
3-methylbut-2-enyl 5-fluoro-2-iodobenzoate
CID 163211172
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
4-methylpentyl 2,5-difluorobenzoate
CID 91716954
CID 155601706
CID 155601706
butyl 2-bromo-5-fluorobenzoate
CID 112724264
heptadecyl 2,5-difluorobenzoate
CID 91723296
hexyl 2-amino-5-fluorobenzoate
CID 63447240
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
2-fluoroethyl 2-amino-5-fluorobenzoate
CID 79078827
propyl 2,5-difluorobenzoate
CID 43416946

Frequently Asked Questions

What is the IUPAC name of CID 155601461?
The IUPAC name of CID 155601461 (CID 155601461) is not available.
What is the SMILES notation for CID 155601461?
The canonical SMILES for CID 155601461 is O=C(OCCC[Si])c1cc(F)ccc1I.
What is the InChIKey of CID 155601461?
The InChIKey is OVBLGIZOBFQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FIO2Si/c11-7-2-3-9(12)8(6-7)10(13)14-4-1-5-15/h2-3,6H,1,4-5H2.
What are the key properties of CID 155601461?
CID 155601461 has a molecular weight of 335.17 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601461 is sourced from PubChem (CID 155601461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).