CID 18188372

C9H6F5Si — CID 18188372

IUPAC—
SMILESFc1c(F)c(F)c(CCC[Si])c(F)c1F
InChIInChI=1S/C9H6F5Si/c10-5-4(2-1-3-15)6(11)8(13)9(14)7(5)12/h1-3H2
InChIKeyIOOHKKBDNDWQGY-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.90
Rot. Bonds3

About CID 18188372

CID 18188372 (PubChem CID 18188372) has the molecular formula C9H6F5Si and a molecular weight of 237.22 g/mol.

Molecular Properties

Compound NameCID 18188372
PubChem CID18188372
Molecular FormulaC9H6F5Si
Molecular Weight237.22 g/mol
Exact Mass237.02
IUPAC Name—
SMILESFc1c(F)c(F)c(CCC[Si])c(F)c1F
InChIInChI=1S/C9H6F5Si/c10-5-4(2-1-3-15)6(11)8(13)9(14)7(5)12/h1-3H2
InChIKeyIOOHKKBDNDWQGY-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 18188372?
The IUPAC name of CID 18188372 (CID 18188372) is not available.
What is the SMILES notation for CID 18188372?
The canonical SMILES for CID 18188372 is Fc1c(F)c(F)c(CCC[Si])c(F)c1F.
What is the InChIKey of CID 18188372?
The InChIKey is IOOHKKBDNDWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5Si/c10-5-4(2-1-3-15)6(11)8(13)9(14)7(5)12/h1-3H2.
What are the key properties of CID 18188372?
CID 18188372 has a molecular weight of 237.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18188372 is sourced from PubChem (CID 18188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).