N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine

C7H13F4NO2S — CID 106292109

IUPACN-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCS(=O)(=O)CCNCC(F)(F)C(F)F
InChIInChI=1S/C7H13F4NO2S/c1-2-15(13,14)4-3-12-5-7(10,11)6(8)9/h6,12H,2-5H2,1H3
InChIKeyNNXJVBMBHDLIGQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.91
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine

N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106292109) has the molecular formula C7H13F4NO2S and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106292109
Molecular FormulaC7H13F4NO2S
Molecular Weight251.24 g/mol
Exact Mass251.06
IUPAC NameN-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCS(=O)(=O)CCNCC(F)(F)C(F)F
InChIInChI=1S/C7H13F4NO2S/c1-2-15(13,14)4-3-12-5-7(10,11)6(8)9/h6,12H,2-5H2,1H3
InChIKeyNNXJVBMBHDLIGQ-UHFFFAOYSA-N
XLogP0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114110989
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
1-(2,2,3,3-tetrafluoropropylsulfonyl)butane
CID 2259897
N'-(2-ethylsulfonylethyl)propane-1,3-diamine
CID 62273153
2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
CID 106292221
2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291856

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine (CID 106292109) is N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine is CCS(=O)(=O)CCNCC(F)(F)C(F)F.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is NNXJVBMBHDLIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4NO2S/c1-2-15(13,14)4-3-12-5-7(10,11)6(8)9/h6,12H,2-5H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 251.24 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106292109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).