N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide

C7H11F3N2 — CID 130626225

IUPACN'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide
SMILESC/C(N)=N\CC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2/c1-5(11)12-4-6(2-3-6)7(8,9)10/h2-4H2,1H3,(H2,11,12)
InChIKeyTZTMCJRDLTWENF-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.71
Rot. Bonds2

About N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide

N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide (PubChem CID 130626225) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide
PubChem CID130626225
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide
SMILESC/C(N)=N\CC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2/c1-5(11)12-4-6(2-3-6)7(8,9)10/h2-4H2,1H3,(H2,11,12)
InChIKeyTZTMCJRDLTWENF-UHFFFAOYSA-N
XLogP1.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
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

N'-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]ethanimidamide
CID 169105569
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282
N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
CID 131036177
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301
N'-[[1-(dimethylamino)cyclopentyl]methyl]ethanimidamide
CID 78931850
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404
N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
CID 131039188
N'-(2,2-difluoro-3-oxobutyl)ethanimidamide
CID 123948626
N-hydroxy-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 130944302
(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
CID 163242845
N-methoxy-N-methyl-2-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 171646551

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide?
The IUPAC name of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide (CID 130626225) is N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide.
What is the SMILES notation for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide?
The canonical SMILES for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide is C/C(N)=N\CC1(C(F)(F)F)CC1.
What is the InChIKey of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide?
The InChIKey is TZTMCJRDLTWENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(11)12-4-6(2-3-6)7(8,9)10/h2-4H2,1H3,(H2,11,12).
What are the key properties of N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide?
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide has a molecular weight of 180.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide is sourced from PubChem (CID 130626225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).