2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine

C8H13F6NO3S — CID 102723330

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO3S/c1-19(16,17)5-3-15-2-4-18-6(7(9,10)11)8(12,13)14/h6,15H,2-5H2,1H3
InChIKeyDCASUVYULCUPBU-UHFFFAOYSA-N
MW317.25 g/mol
LogP1.13
Rot. Bonds7

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 102723330) has the molecular formula C8H13F6NO3S and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID102723330
Molecular FormulaC8H13F6NO3S
Molecular Weight317.25 g/mol
Exact Mass317.05
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO3S/c1-19(16,17)5-3-15-2-4-18-6(7(9,10)11)8(12,13)14/h6,15H,2-5H2,1H3
InChIKeyDCASUVYULCUPBU-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
CID 102723293
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
3,3-diethoxy-N-(2-methylsulfonylethyl)propan-1-amine
CID 81095221
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122
N-(2-iodoethyl)-2-methylsulfonylethanamine
CID 114505554
N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide
CID 87729367
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 81270109
N-[2-(2-methylpropylsulfonyl)ethyl]-2-methylsulfonylethanamine
CID 106512902
N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62554317
N'-ethyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089721
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine
CID 102723313

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine (CID 102723330) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCNCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is DCASUVYULCUPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO3S/c1-19(16,17)5-3-15-2-4-18-6(7(9,10)11)8(12,13)14/h6,15H,2-5H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 317.25 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 102723330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).