CID 18690551

C7H11F3OSi — CID 18690551

IUPAC—
SMILESCC(F)C(F)(F)C1CCC[Si]O1
InChIInChI=1S/C7H11F3OSi/c1-5(8)7(9,10)6-3-2-4-12-11-6/h5-6H,2-4H2,1H3
InChIKeyPHXIHNSSYUFFTI-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.20
Rot. Bonds2

About CID 18690551

CID 18690551 (PubChem CID 18690551) has the molecular formula C7H11F3OSi and a molecular weight of 196.24 g/mol.

Molecular Properties

Compound NameCID 18690551
PubChem CID18690551
Molecular FormulaC7H11F3OSi
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name—
SMILESCC(F)C(F)(F)C1CCC[Si]O1
InChIInChI=1S/C7H11F3OSi/c1-5(8)7(9,10)6-3-2-4-12-11-6/h5-6H,2-4H2,1H3
InChIKeyPHXIHNSSYUFFTI-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18690551?
The IUPAC name of CID 18690551 (CID 18690551) is not available.
What is the SMILES notation for CID 18690551?
The canonical SMILES for CID 18690551 is CC(F)C(F)(F)C1CCC[Si]O1.
What is the InChIKey of CID 18690551?
The InChIKey is PHXIHNSSYUFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3OSi/c1-5(8)7(9,10)6-3-2-4-12-11-6/h5-6H,2-4H2,1H3.
What are the key properties of CID 18690551?
CID 18690551 has a molecular weight of 196.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18690551 is sourced from PubChem (CID 18690551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).