N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide

C12H26FNOSi — CID 72704288

IUPACN-[3-[ditert-butyl(fluoro)silyl]propyl]formamide
SMILESCC(C)(C)[Si](F)(CCCNC=O)C(C)(C)C
InChIInChI=1S/C12H26FNOSi/c1-11(2,3)16(13,12(4,5)6)9-7-8-14-10-15/h10H,7-9H2,1-6H3,(H,14,15)
InChIKeyFZBQKIILSVHQPB-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.64
Rot. Bonds5

About N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide

N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide (PubChem CID 72704288) has the molecular formula C12H26FNOSi and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[ditert-butyl(fluoro)silyl]propyl]formamide
PubChem CID72704288
Molecular FormulaC12H26FNOSi
Molecular Weight247.43 g/mol
Exact Mass247.18
IUPAC NameN-[3-[ditert-butyl(fluoro)silyl]propyl]formamide
SMILESCC(C)(C)[Si](F)(CCCNC=O)C(C)(C)C
InChIInChI=1S/C12H26FNOSi/c1-11(2,3)16(13,12(4,5)6)9-7-8-14-10-15/h10H,7-9H2,1-6H3,(H,14,15)
InChIKeyFZBQKIILSVHQPB-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide?
The IUPAC name of N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide (CID 72704288) is N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide.
What is the SMILES notation for N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide?
The canonical SMILES for N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide is CC(C)(C)[Si](F)(CCCNC=O)C(C)(C)C.
What is the InChIKey of N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide?
The InChIKey is FZBQKIILSVHQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNOSi/c1-11(2,3)16(13,12(4,5)6)9-7-8-14-10-15/h10H,7-9H2,1-6H3,(H,14,15).
What are the key properties of N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide?
N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide has a molecular weight of 247.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ditert-butyl(fluoro)silyl]propyl]formamide is sourced from PubChem (CID 72704288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).