CID 175025437

C7H15F3N3O2S- — CID 175025437

IUPAC—
SMILESCC1C(C(F)(F)F)NCCN1C.NS(=O)[O-]
InChIInChI=1S/C7H13F3N2.H3NO2S/c1-5-6(7(8,9)10)11-3-4-12(5)2;1-4(2)3/h5-6,11H,3-4H2,1-2H3;1H2,(H,2,3)/p-1
InChIKeyFYIKBGZFVSTVBW-UHFFFAOYSA-M
MW262.28 g/mol
LogP-0.42
Rot. Bonds

About CID 175025437

CID 175025437 (PubChem CID 175025437) has the molecular formula C7H15F3N3O2S- and a molecular weight of 262.28 g/mol.

Molecular Properties

Compound NameCID 175025437
PubChem CID175025437
Molecular FormulaC7H15F3N3O2S-
Molecular Weight262.28 g/mol
Exact Mass262.08
IUPAC Name—
SMILESCC1C(C(F)(F)F)NCCN1C.NS(=O)[O-]
InChIInChI=1S/C7H13F3N2.H3NO2S/c1-5-6(7(8,9)10)11-3-4-12(5)2;1-4(2)3/h5-6,11H,3-4H2,1-2H3;1H2,(H,2,3)/p-1
InChIKeyFYIKBGZFVSTVBW-UHFFFAOYSA-M
XLogP-0.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175025437?
The IUPAC name of CID 175025437 (CID 175025437) is not available.
What is the SMILES notation for CID 175025437?
The canonical SMILES for CID 175025437 is CC1C(C(F)(F)F)NCCN1C.NS(=O)[O-].
What is the InChIKey of CID 175025437?
The InChIKey is FYIKBGZFVSTVBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13F3N2.H3NO2S/c1-5-6(7(8,9)10)11-3-4-12(5)2;1-4(2)3/h5-6,11H,3-4H2,1-2H3;1H2,(H,2,3)/p-1.
What are the key properties of CID 175025437?
CID 175025437 has a molecular weight of 262.28 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175025437 is sourced from PubChem (CID 175025437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).