CID 175719283

C3H5F3NOS- — CID 175719283

IUPAC—
SMILESCC/N=[S-](=O)/C(F)(F)F
InChIInChI=1S/C3H5F3NOS/c1-2-7-9(8)3(4,5)6/h2H2,1H3/q-1
InChIKeyFSCOXFKXWVZXRD-UHFFFAOYSA-N
MW160.14 g/mol
LogP1.67
Rot. Bonds1

About CID 175719283

CID 175719283 (PubChem CID 175719283) has the molecular formula C3H5F3NOS- and a molecular weight of 160.14 g/mol.

Molecular Properties

Compound NameCID 175719283
PubChem CID175719283
Molecular FormulaC3H5F3NOS-
Molecular Weight160.14 g/mol
Exact Mass160.00
IUPAC Name—
SMILESCC/N=[S-](=O)/C(F)(F)F
InChIInChI=1S/C3H5F3NOS/c1-2-7-9(8)3(4,5)6/h2H2,1H3/q-1
InChIKeyFSCOXFKXWVZXRD-UHFFFAOYSA-N
XLogP1.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175719283?
The IUPAC name of CID 175719283 (CID 175719283) is not available.
What is the SMILES notation for CID 175719283?
The canonical SMILES for CID 175719283 is CC/N=[S-](=O)/C(F)(F)F.
What is the InChIKey of CID 175719283?
The InChIKey is FSCOXFKXWVZXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3NOS/c1-2-7-9(8)3(4,5)6/h2H2,1H3/q-1.
What are the key properties of CID 175719283?
CID 175719283 has a molecular weight of 160.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175719283 is sourced from PubChem (CID 175719283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).