N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide

C7H13F2N3 — CID 164661151

IUPACN-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide
SMILESCC/N=C(\NN)C1(C(F)F)CC1
InChIInChI=1S/C7H13F2N3/c1-2-11-6(12-10)7(3-4-7)5(8)9/h5H,2-4,10H2,1H3,(H,11,12)
InChIKeyZFPIXNUGFBGXFM-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.91
Rot. Bonds3

About N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide

N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide (PubChem CID 164661151) has the molecular formula C7H13F2N3 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide
PubChem CID164661151
Molecular FormulaC7H13F2N3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC NameN-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide
SMILESCC/N=C(\NN)C1(C(F)F)CC1
InChIInChI=1S/C7H13F2N3/c1-2-11-6(12-10)7(3-4-7)5(8)9/h5H,2-4,10H2,1H3,(H,11,12)
InChIKeyZFPIXNUGFBGXFM-UHFFFAOYSA-N
XLogP0.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide?
The IUPAC name of N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide (CID 164661151) is N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide.
What is the SMILES notation for N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide?
The canonical SMILES for N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide is CC/N=C(\NN)C1(C(F)F)CC1.
What is the InChIKey of N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide?
The InChIKey is ZFPIXNUGFBGXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3/c1-2-11-6(12-10)7(3-4-7)5(8)9/h5H,2-4,10H2,1H3,(H,11,12).
What are the key properties of N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide?
N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide has a molecular weight of 177.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-1-(difluoromethyl)-N'-ethylcyclopropane-1-carboximidamide is sourced from PubChem (CID 164661151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).