N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine

C5H10F3NO2S — CID 83986198

IUPACN-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine
SMILESCCS(=O)(=O)CNCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-12(10,11)4-9-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyPQQPQWFLSKXZNI-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.53
Rot. Bonds4

About N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine

N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 83986198) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine
PubChem CID83986198
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine
SMILESCCS(=O)(=O)CNCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-12(10,11)4-9-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyPQQPQWFLSKXZNI-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine (CID 83986198) is N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine is CCS(=O)(=O)CNCC(F)(F)F.
What is the InChIKey of N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is PQQPQWFLSKXZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-12(10,11)4-9-3-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine?
N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 205.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 83986198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).