[5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane

C14H24ClFO2Si — CID 69492464

IUPAC[5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane
SMILESCCCC(F)[Si](C)(C)OCc1ccc(CCCCl)o1
InChIInChI=1S/C14H24ClFO2Si/c1-4-6-14(16)19(2,3)17-11-13-9-8-12(18-13)7-5-10-15/h8-9,14H,4-7,10-11H2,1-3H3
InChIKeyGKSVRKDSNPJBLC-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.85
Rot. Bonds9

About [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane

[5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane (PubChem CID 69492464) has the molecular formula C14H24ClFO2Si and a molecular weight of 306.88 g/mol. Its IUPAC name is [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane.

Molecular Properties

Compound Name[5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane
PubChem CID69492464
Molecular FormulaC14H24ClFO2Si
Molecular Weight306.88 g/mol
Exact Mass306.12
IUPAC Name[5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane
SMILESCCCC(F)[Si](C)(C)OCc1ccc(CCCCl)o1
InChIInChI=1S/C14H24ClFO2Si/c1-4-6-14(16)19(2,3)17-11-13-9-8-12(18-13)7-5-10-15/h8-9,14H,4-7,10-11H2,1-3H3
InChIKeyGKSVRKDSNPJBLC-UHFFFAOYSA-N
XLogP4.85
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane?
The IUPAC name of [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane (CID 69492464) is [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane.
What is the SMILES notation for [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane?
The canonical SMILES for [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane is CCCC(F)[Si](C)(C)OCc1ccc(CCCCl)o1.
What is the InChIKey of [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane?
The InChIKey is GKSVRKDSNPJBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClFO2Si/c1-4-6-14(16)19(2,3)17-11-13-9-8-12(18-13)7-5-10-15/h8-9,14H,4-7,10-11H2,1-3H3.
What are the key properties of [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane?
[5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane has a molecular weight of 306.88 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloropropyl)furan-2-yl]methoxy-(1-fluorobutyl)-dimethylsilane is sourced from PubChem (CID 69492464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).