2-cyclopropyl-2,2-difluoroethanimidamide

C5H8F2N2 — CID 115011276

IUPAC2-cyclopropyl-2,2-difluoroethanimidamide
SMILES[H]/N=C(\N)C(F)(F)C1CC1
InChIInChI=1S/C5H8F2N2/c6-5(7,4(8)9)3-1-2-3/h3H,1-2H2,(H3,8,9)
InChIKeyFYHNIRSYLSBHMA-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.97
Rot. Bonds2

About 2-cyclopropyl-2,2-difluoroethanimidamide

2-cyclopropyl-2,2-difluoroethanimidamide (PubChem CID 115011276) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2-cyclopropyl-2,2-difluoroethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2,2-difluoroethanimidamide
PubChem CID115011276
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name2-cyclopropyl-2,2-difluoroethanimidamide
SMILES[H]/N=C(\N)C(F)(F)C1CC1
InChIInChI=1S/C5H8F2N2/c6-5(7,4(8)9)3-1-2-3/h3H,1-2H2,(H3,8,9)
InChIKeyFYHNIRSYLSBHMA-UHFFFAOYSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(Trifluoromethyl)cyclopropane-1-carboximidamide hydrochloride
CID 155892742
1-(Trifluoromethyl)cyclopropane-1-carboximidamide
CID 155892743
2-Methyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 83826866
2-Cyclopropyl-2-fluoroethanimidamide
CID 115011075
2,2-Difluoro-3-methylbutanimidamide
CID 115011296
2,2-Difluoro-4-methylpentanimidamide
CID 115011787
2-(Trifluoromethyl)cyclopropanecarboximidamide hydrochloride
CID 139269553
2-(Trifluoromethyl)cyclopropanecarboximidamide
CID 139269554
trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 146082274

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,2-difluoroethanimidamide?
The IUPAC name of 2-cyclopropyl-2,2-difluoroethanimidamide (CID 115011276) is 2-cyclopropyl-2,2-difluoroethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2,2-difluoroethanimidamide?
The canonical SMILES for 2-cyclopropyl-2,2-difluoroethanimidamide is [H]/N=C(\N)C(F)(F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,2-difluoroethanimidamide?
The InChIKey is FYHNIRSYLSBHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c6-5(7,4(8)9)3-1-2-3/h3H,1-2H2,(H3,8,9).
What are the key properties of 2-cyclopropyl-2,2-difluoroethanimidamide?
2-cyclopropyl-2,2-difluoroethanimidamide has a molecular weight of 134.13 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,2-difluoroethanimidamide is sourced from PubChem (CID 115011276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).