1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide

C7H7F3N2O2 — CID 107857039

IUPAC1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NOCC(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-12-5(13)6(3-11)1-2-6/h1-2,4H2,(H,12,13)
InChIKeyRKVZFJZPAHKNQV-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.90
Rot. Bonds3

About 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide

1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide (PubChem CID 107857039) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
PubChem CID107857039
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NOCC(F)(F)F)CC1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-12-5(13)6(3-11)1-2-6/h1-2,4H2,(H,12,13)
InChIKeyRKVZFJZPAHKNQV-UHFFFAOYSA-N
XLogP0.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide (CID 107857039) is 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide is N#CC1(C(=O)NOCC(F)(F)F)CC1.
What is the InChIKey of 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide?
The InChIKey is RKVZFJZPAHKNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-12-5(13)6(3-11)1-2-6/h1-2,4H2,(H,12,13).
What are the key properties of 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide?
1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide is sourced from PubChem (CID 107857039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).