N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide

C6H8F3NO2 — CID 81340030

IUPACN-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide
SMILESO=C(NOCC(F)(F)F)C1CC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-12-10-5(11)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyHKGUOZOLHYAACF-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.01
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide

N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide (PubChem CID 81340030) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide
PubChem CID81340030
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC NameN-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide
SMILESO=C(NOCC(F)(F)F)C1CC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)3-12-10-5(11)4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyHKGUOZOLHYAACF-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide (CID 81340030) is N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide is O=C(NOCC(F)(F)F)C1CC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide?
The InChIKey is HKGUOZOLHYAACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)3-12-10-5(11)4-1-2-4/h4H,1-3H2,(H,10,11).
What are the key properties of N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide?
N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide has a molecular weight of 183.13 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)cyclopropanecarboxamide is sourced from PubChem (CID 81340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).