CID 175238823

CH2F3FeNS — CID 175238823

IUPAC—
SMILESFC(F)F.N=S.[Fe]
InChIInChI=1S/CHF3.Fe.HNS/c2-1(3)4;;1-2/h1H;;1H
InChIKeyGJUZZLLNPUQIEU-UHFFFAOYSA-N
MW172.94 g/mol
LogP1.47
Rot. Bonds

About CID 175238823

CID 175238823 (PubChem CID 175238823) has the molecular formula CH2F3FeNS and a molecular weight of 172.94 g/mol.

Molecular Properties

Compound NameCID 175238823
PubChem CID175238823
Molecular FormulaCH2F3FeNS
Molecular Weight172.94 g/mol
Exact Mass172.92
IUPAC Name—
SMILESFC(F)F.N=S.[Fe]
InChIInChI=1S/CHF3.Fe.HNS/c2-1(3)4;;1-2/h1H;;1H
InChIKeyGJUZZLLNPUQIEU-UHFFFAOYSA-N
XLogP1.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.94
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 175238823?
The IUPAC name of CID 175238823 (CID 175238823) is not available.
What is the SMILES notation for CID 175238823?
The canonical SMILES for CID 175238823 is FC(F)F.N=S.[Fe].
What is the InChIKey of CID 175238823?
The InChIKey is GJUZZLLNPUQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3.Fe.HNS/c2-1(3)4;;1-2/h1H;;1H.
What are the key properties of CID 175238823?
CID 175238823 has a molecular weight of 172.94 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175238823 is sourced from PubChem (CID 175238823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).