CID 155601706

C9H9FIOSi — CID 155601706

IUPAC—
SMILESFc1ccc(OCCC[Si])c(I)c1
InChIInChI=1S/C9H9FIOSi/c10-7-2-3-9(8(11)6-7)12-4-1-5-13/h2-3,6H,1,4-5H2
InChIKeySSHMWKJQEJRVAY-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.79
Rot. Bonds4

About CID 155601706

CID 155601706 (PubChem CID 155601706) has the molecular formula C9H9FIOSi and a molecular weight of 307.16 g/mol.

Molecular Properties

Compound NameCID 155601706
PubChem CID155601706
Molecular FormulaC9H9FIOSi
Molecular Weight307.16 g/mol
Exact Mass306.95
IUPAC Name—
SMILESFc1ccc(OCCC[Si])c(I)c1
InChIInChI=1S/C9H9FIOSi/c10-7-2-3-9(8(11)6-7)12-4-1-5-13/h2-3,6H,1,4-5H2
InChIKeySSHMWKJQEJRVAY-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
CID 156504900
1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene
CID 130444426
5-fluoro-2-[3-(4-fluoro-2-iodophenoxy)propoxy]-1,3-dimethylbenzene
CID 154029735
4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene
CID 129132935
CID 155601461
CID 155601461
4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 175686923
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
CID 89282398
CID 89282398
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836

Frequently Asked Questions

What is the IUPAC name of CID 155601706?
The IUPAC name of CID 155601706 (CID 155601706) is not available.
What is the SMILES notation for CID 155601706?
The canonical SMILES for CID 155601706 is Fc1ccc(OCCC[Si])c(I)c1.
What is the InChIKey of CID 155601706?
The InChIKey is SSHMWKJQEJRVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FIOSi/c10-7-2-3-9(8(11)6-7)12-4-1-5-13/h2-3,6H,1,4-5H2.
What are the key properties of CID 155601706?
CID 155601706 has a molecular weight of 307.16 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601706 is sourced from PubChem (CID 155601706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).