1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane

C4H5F6NO2S — CID 91273390

IUPAC1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane
SMILESO=S(O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-3(6,7)1-11(14(12)13)2-4(8,9)10/h1-2H2,(H,12,13)
InChIKeyDXLHZHMEALPCMW-UHFFFAOYSA-N
MW245.14 g/mol
LogP1.55
Rot. Bonds3

About 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane

1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane (PubChem CID 91273390) has the molecular formula C4H5F6NO2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane
PubChem CID91273390
Molecular FormulaC4H5F6NO2S
Molecular Weight245.14 g/mol
Exact Mass244.99
IUPAC Name1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane
SMILESO=S(O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-3(6,7)1-11(14(12)13)2-4(8,9)10/h1-2H2,(H,12,13)
InChIKeyDXLHZHMEALPCMW-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dichloro-2,2,2-trifluoroethanamine
CID 175454516
N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
arsane;sulfurous acid
CID 173343664
phosphane;sulfurous acid
CID 173229936
(2,2,2-trifluoroethylsulfonylamino)methanesulfinic acid
CID 87186721
2-[sulfino(trifluoromethyl)amino]propane
CID 57055946
2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 75427200
2-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 13090851
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinic acid
CID 12522022
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane (CID 91273390) is 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane is O=S(O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane?
The InChIKey is DXLHZHMEALPCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO2S/c5-3(6,7)1-11(14(12)13)2-4(8,9)10/h1-2H2,(H,12,13).
What are the key properties of 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane?
1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane has a molecular weight of 245.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane is sourced from PubChem (CID 91273390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).