CID 155601276

C8H7FISi — CID 155601276

IUPAC—
SMILESFc1cccc(CC[Si])c1I
InChIInChI=1S/C8H7FISi/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4-5H2
InChIKeyXIWUJVGSVLMSQC-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.56
Rot. Bonds2

About CID 155601276

CID 155601276 (PubChem CID 155601276) has the molecular formula C8H7FISi and a molecular weight of 277.13 g/mol.

Molecular Properties

Compound NameCID 155601276
PubChem CID155601276
Molecular FormulaC8H7FISi
Molecular Weight277.13 g/mol
Exact Mass276.93
IUPAC Name—
SMILESFc1cccc(CC[Si])c1I
InChIInChI=1S/C8H7FISi/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4-5H2
InChIKeyXIWUJVGSVLMSQC-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-2-iodophenyl)ethanol
CID 67516027
(3-fluoro-2-iodophenyl)methylhydrazine
CID 135394130
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469
CID 155601533
CID 155601533
CID 155601438
CID 155601438
1-fluoro-2,3-diiodobenzene
CID 10958978
CID 155601387
CID 155601387
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
(2,3-difluorophenyl)methanamine
CID 2736941
1-fluoro-2-(2-iodoethyl)benzene
CID 11021288
1-fluoro-3-(2-fluorophenyl)-2-iodobenzene
CID 46313915
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130

Frequently Asked Questions

What is the IUPAC name of CID 155601276?
The IUPAC name of CID 155601276 (CID 155601276) is not available.
What is the SMILES notation for CID 155601276?
The canonical SMILES for CID 155601276 is Fc1cccc(CC[Si])c1I.
What is the InChIKey of CID 155601276?
The InChIKey is XIWUJVGSVLMSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FISi/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4-5H2.
What are the key properties of CID 155601276?
CID 155601276 has a molecular weight of 277.13 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601276 is sourced from PubChem (CID 155601276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).