N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide

C8H14F3NO2S — CID 138560238

IUPACN-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
SMILESCCNC(=O)CCS(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-2-12-7(13)3-5-15(14)6-4-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyABRICAYXNAOZBF-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.21
Rot. Bonds6

About N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide

N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide (PubChem CID 138560238) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
PubChem CID138560238
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
SMILESCCNC(=O)CCS(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-2-12-7(13)3-5-15(14)6-4-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyABRICAYXNAOZBF-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?
The IUPAC name of N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide (CID 138560238) is N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide.
What is the SMILES notation for N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?
The canonical SMILES for N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide is CCNC(=O)CCS(=O)CCC(F)(F)F.
What is the InChIKey of N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?
The InChIKey is ABRICAYXNAOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-2-12-7(13)3-5-15(14)6-4-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?
N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide has a molecular weight of 245.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide is sourced from PubChem (CID 138560238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).