CID 68591460

C10H13F2Si — CID 68591460

IUPAC—
SMILESCc1ccc(C)c(CCF)c1.F[Si]
InChIInChI=1S/C10H13F.FSi/c1-8-3-4-9(2)10(7-8)5-6-11;1-2/h3-4,7H,5-6H2,1-2H3;
InChIKeyLBZDGEBEFUESDK-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.85
Rot. Bonds2

About CID 68591460

CID 68591460 (PubChem CID 68591460) has the molecular formula C10H13F2Si and a molecular weight of 199.30 g/mol.

Molecular Properties

Compound NameCID 68591460
PubChem CID68591460
Molecular FormulaC10H13F2Si
Molecular Weight199.30 g/mol
Exact Mass199.08
IUPAC Name—
SMILESCc1ccc(C)c(CCF)c1.F[Si]
InChIInChI=1S/C10H13F.FSi/c1-8-3-4-9(2)10(7-8)5-6-11;1-2/h3-4,7H,5-6H2,1-2H3;
InChIKeyLBZDGEBEFUESDK-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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CID 68534782
CID 68534782
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CID 115202717
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
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2-[2-(2,5-dimethylphenyl)ethyl]-3-methyloxirane
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N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 68591460?
The IUPAC name of CID 68591460 (CID 68591460) is not available.
What is the SMILES notation for CID 68591460?
The canonical SMILES for CID 68591460 is Cc1ccc(C)c(CCF)c1.F[Si].
What is the InChIKey of CID 68591460?
The InChIKey is LBZDGEBEFUESDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.FSi/c1-8-3-4-9(2)10(7-8)5-6-11;1-2/h3-4,7H,5-6H2,1-2H3;.
What are the key properties of CID 68591460?
CID 68591460 has a molecular weight of 199.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68591460 is sourced from PubChem (CID 68591460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).