2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide

C10H17F3N2S — CID 65495753

IUPAC2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCN(CC(F)(F)F)CC1(CC(N)=S)CC1
InChIInChI=1S/C10H17F3N2S/c1-2-15(7-10(11,12)13)6-9(3-4-9)5-8(14)16/h2-7H2,1H3,(H2,14,16)
InChIKeyMHJQOVLEJHYVIY-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.33
Rot. Bonds6

About 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65495753) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65495753
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCN(CC(F)(F)F)CC1(CC(N)=S)CC1
InChIInChI=1S/C10H17F3N2S/c1-2-15(7-10(11,12)13)6-9(3-4-9)5-8(14)16/h2-7H2,1H3,(H2,14,16)
InChIKeyMHJQOVLEJHYVIY-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65495753) is 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide is CCN(CC(F)(F)F)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is MHJQOVLEJHYVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-2-15(7-10(11,12)13)6-9(3-4-9)5-8(14)16/h2-7H2,1H3,(H2,14,16).
What are the key properties of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 254.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65495753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).