CID 146226075

C4H3F10NO2S — CID 146226075

IUPAC—
SMILESFC(F)C(F)(F)F.FC(F)C(F)(F)F.N=S(=O)=O
InChIInChI=1S/2C2HF5.HNO2S/c2*3-1(4)2(5,6)7;1-4(2)3/h2*1H;1H
InChIKeyBULJNPMNDVEUHK-UHFFFAOYSA-N
MW319.12 g/mol
LogP3.26
Rot. Bonds

About CID 146226075

CID 146226075 (PubChem CID 146226075) has the molecular formula C4H3F10NO2S and a molecular weight of 319.12 g/mol.

Molecular Properties

Compound NameCID 146226075
PubChem CID146226075
Molecular FormulaC4H3F10NO2S
Molecular Weight319.12 g/mol
Exact Mass318.97
IUPAC Name—
SMILESFC(F)C(F)(F)F.FC(F)C(F)(F)F.N=S(=O)=O
InChIInChI=1S/2C2HF5.HNO2S/c2*3-1(4)2(5,6)7;1-4(2)3/h2*1H;1H
InChIKeyBULJNPMNDVEUHK-UHFFFAOYSA-N
XLogP3.26
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;1,1,1,2,2-pentafluoroethane
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1,1,1,2,2-pentafluoroethane iodide
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CID 175520186
CID 175520186
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
CID 174718444
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
1,2,2,2-tetrafluoroethanesulfinic acid
CID 57279877
CID 102523763
CID 102523763
CID 175218278
CID 175218278
CID 174956763
CID 174956763
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
2,2,3,3-tetrafluoropropane-1-sulfinamide
CID 165461484

Frequently Asked Questions

What is the IUPAC name of CID 146226075?
The IUPAC name of CID 146226075 (CID 146226075) is not available.
What is the SMILES notation for CID 146226075?
The canonical SMILES for CID 146226075 is FC(F)C(F)(F)F.FC(F)C(F)(F)F.N=S(=O)=O.
What is the InChIKey of CID 146226075?
The InChIKey is BULJNPMNDVEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HF5.HNO2S/c2*3-1(4)2(5,6)7;1-4(2)3/h2*1H;1H.
What are the key properties of CID 146226075?
CID 146226075 has a molecular weight of 319.12 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146226075 is sourced from PubChem (CID 146226075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).