2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide

C7H11F3N2 — CID 83828148

IUPAC2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C(F)(F)F)CC1(C)C
InChIInChI=1S/C7H11F3N2/c1-5(2)3-6(5,4(11)12)7(8,9)10/h3H2,1-2H3,(H3,11,12)
InChIKeyMWKNXFJGVXLIBM-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.90
Rot. Bonds1

About 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide

2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide (PubChem CID 83828148) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound Name2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide
PubChem CID83828148
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C(F)(F)F)CC1(C)C
InChIInChI=1S/C7H11F3N2/c1-5(2)3-6(5,4(11)12)7(8,9)10/h3H2,1-2H3,(H3,11,12)
InChIKeyMWKNXFJGVXLIBM-UHFFFAOYSA-N
XLogP1.90
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The IUPAC name of 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide (CID 83828148) is 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The canonical SMILES for 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide is [H]/N=C(\N)C1(C(F)(F)F)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The InChIKey is MWKNXFJGVXLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(2)3-6(5,4(11)12)7(8,9)10/h3H2,1-2H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide?
2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide has a molecular weight of 180.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(trifluoromethyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 83828148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).