2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide

C9H14F3NO2 — CID 78846853

IUPAC2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-6-4-7(6)8(14)13-2-3-15-5-9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyNLYJZSOFKUHLEC-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.34
Rot. Bonds5

About 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 78846853) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID78846853
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-6-4-7(6)8(14)13-2-3-15-5-9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyNLYJZSOFKUHLEC-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide (CID 78846853) is 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is NLYJZSOFKUHLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6-4-7(6)8(14)13-2-3-15-5-9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78846853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).