2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide

C7H12F3N3O — CID 76912585

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CC(F)(F)F)C1CC1)=NO
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13(5-1-2-5)3-6(11)12-14/h5,14H,1-4H2,(H2,11,12)
InChIKeyJFMSDLRMEYCBEA-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.76
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76912585) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76912585
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CC(F)(F)F)C1CC1)=NO
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13(5-1-2-5)3-6(11)12-14/h5,14H,1-4H2,(H2,11,12)
InChIKeyJFMSDLRMEYCBEA-UHFFFAOYSA-N
XLogP0.76
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide (CID 76912585) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide is NC(CN(CC(F)(F)F)C1CC1)=NO.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is JFMSDLRMEYCBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)4-13(5-1-2-5)3-6(11)12-14/h5,14H,1-4H2,(H2,11,12).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 211.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76912585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).