CID 102256303

C3H2F3OS — CID 102256303

IUPAC—
SMILESFC(F)(F)CO[C]=S
InChIInChI=1S/C3H2F3OS/c4-3(5,6)1-7-2-8/h1H2
InChIKeyHTOQDUDCKYICPO-UHFFFAOYSA-N
MW143.11 g/mol
LogP1.40
Rot. Bonds2

About CID 102256303

CID 102256303 (PubChem CID 102256303) has the molecular formula C3H2F3OS and a molecular weight of 143.11 g/mol.

Molecular Properties

Compound NameCID 102256303
PubChem CID102256303
Molecular FormulaC3H2F3OS
Molecular Weight143.11 g/mol
Exact Mass142.98
IUPAC Name—
SMILESFC(F)(F)CO[C]=S
InChIInChI=1S/C3H2F3OS/c4-3(5,6)1-7-2-8/h1H2
InChIKeyHTOQDUDCKYICPO-UHFFFAOYSA-N
XLogP1.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102256303?
The IUPAC name of CID 102256303 (CID 102256303) is not available.
What is the SMILES notation for CID 102256303?
The canonical SMILES for CID 102256303 is FC(F)(F)CO[C]=S.
What is the InChIKey of CID 102256303?
The InChIKey is HTOQDUDCKYICPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3OS/c4-3(5,6)1-7-2-8/h1H2.
What are the key properties of CID 102256303?
CID 102256303 has a molecular weight of 143.11 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102256303 is sourced from PubChem (CID 102256303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).