CID 87193018

C4H7F3OSi — CID 87193018

IUPAC—
SMILESCCCO[Si]C(F)(F)F
InChIInChI=1S/C4H7F3OSi/c1-2-3-8-9-4(5,6)7/h2-3H2,1H3
InChIKeyKVYBQBYQJQBILK-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.55
Rot. Bonds3

About CID 87193018

CID 87193018 (PubChem CID 87193018) has the molecular formula C4H7F3OSi and a molecular weight of 156.18 g/mol.

Molecular Properties

Compound NameCID 87193018
PubChem CID87193018
Molecular FormulaC4H7F3OSi
Molecular Weight156.18 g/mol
Exact Mass156.02
IUPAC Name—
SMILESCCCO[Si]C(F)(F)F
InChIInChI=1S/C4H7F3OSi/c1-2-3-8-9-4(5,6)7/h2-3H2,1H3
InChIKeyKVYBQBYQJQBILK-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.55
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 87193018?
The IUPAC name of CID 87193018 (CID 87193018) is not available.
What is the SMILES notation for CID 87193018?
The canonical SMILES for CID 87193018 is CCCO[Si]C(F)(F)F.
What is the InChIKey of CID 87193018?
The InChIKey is KVYBQBYQJQBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OSi/c1-2-3-8-9-4(5,6)7/h2-3H2,1H3.
What are the key properties of CID 87193018?
CID 87193018 has a molecular weight of 156.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87193018 is sourced from PubChem (CID 87193018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).