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

C5H9F2N3 — CID 164661149

IUPACN'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide
SMILESN/N=C(\N)C1(C(F)F)CC1
InChIInChI=1S/C5H9F2N3/c6-3(7)5(1-2-5)4(8)10-9/h3H,1-2,9H2,(H2,8,10)
InChIKeyCNPAMTFBCNROAF-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.26
Rot. Bonds2

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

N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide (PubChem CID 164661149) has the molecular formula C5H9F2N3 and a molecular weight of 149.14 g/mol. Its IUPAC name is N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide
PubChem CID164661149
Molecular FormulaC5H9F2N3
Molecular Weight149.14 g/mol
Exact Mass149.08
IUPAC NameN'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide
SMILESN/N=C(\N)C1(C(F)F)CC1
InChIInChI=1S/C5H9F2N3/c6-3(7)5(1-2-5)4(8)10-9/h3H,1-2,9H2,(H2,8,10)
InChIKeyCNPAMTFBCNROAF-UHFFFAOYSA-N
XLogP0.26
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.26
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'}

Analyze N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide (CID 164661149) is N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide is N/N=C(\N)C1(C(F)F)CC1.
What is the InChIKey of N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide?
The InChIKey is CNPAMTFBCNROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N3/c6-3(7)5(1-2-5)4(8)10-9/h3H,1-2,9H2,(H2,8,10).
What are the key properties of N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide?
N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide has a molecular weight of 149.14 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-1-(difluoromethyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 164661149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).