CID 139243960

C3H4F3NO2S — CID 139243960

IUPAC—
SMILES[CH2]C[N]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2S/c1-2-7-10(8,9)3(4,5)6/h1-2H2
InChIKeyRJAZBXBRYCESFL-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.27
Rot. Bonds2

About CID 139243960

CID 139243960 (PubChem CID 139243960) has the molecular formula C3H4F3NO2S and a molecular weight of 175.13 g/mol.

Molecular Properties

Compound NameCID 139243960
PubChem CID139243960
Molecular FormulaC3H4F3NO2S
Molecular Weight175.13 g/mol
Exact Mass174.99
IUPAC Name—
SMILES[CH2]C[N]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2S/c1-2-7-10(8,9)3(4,5)6/h1-2H2
InChIKeyRJAZBXBRYCESFL-UHFFFAOYSA-N
XLogP0.27
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethyl(trifluoromethylsulfonyl)azanide
CID 58427683
Propyl(trifluoromethylsulfonyl)azanide
CID 58427689
Ethyl(trifluoromethylsulfonyl)azanide
CID 58427701
2-Fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 59713179
Lithium 2,2,2-trifluoroethyl(trifluoromethylsulfonyl)azanide
CID 101112203

Frequently Asked Questions

What is the IUPAC name of CID 139243960?
The IUPAC name of CID 139243960 (CID 139243960) is not available.
What is the SMILES notation for CID 139243960?
The canonical SMILES for CID 139243960 is [CH2]C[N]S(=O)(=O)C(F)(F)F.
What is the InChIKey of CID 139243960?
The InChIKey is RJAZBXBRYCESFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2S/c1-2-7-10(8,9)3(4,5)6/h1-2H2.
What are the key properties of CID 139243960?
CID 139243960 has a molecular weight of 175.13 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139243960 is sourced from PubChem (CID 139243960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).