N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide

C7H13F3N2 — CID 168742254

IUPACN-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC/C(=N\CC(F)(F)F)NC(C)C
InChIInChI=1S/C7H13F3N2/c1-5(2)12-6(3)11-4-7(8,9)10/h5H,4H2,1-3H3,(H,11,12)
InChIKeyYBOVUDLKXHRKRK-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.97
Rot. Bonds2

About N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide

N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide (PubChem CID 168742254) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
PubChem CID168742254
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC/C(=N\CC(F)(F)F)NC(C)C
InChIInChI=1S/C7H13F3N2/c1-5(2)12-6(3)11-4-7(8,9)10/h5H,4H2,1-3H3,(H,11,12)
InChIKeyYBOVUDLKXHRKRK-UHFFFAOYSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.97
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'}

Analyze N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634
N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 162108259
N,N'-di(propan-2-yl)ethanimidamide
CID 11205611
N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide
CID 168742395
N'-butan-2-yl-N-propan-2-ylethanimidamide
CID 86038990
methyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 162589776
N-propan-2-yl-N'-[[3-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 159070681
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)
CID 172756363
tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
CID 158470992
2-(aminomethylidene)-3-(2,2,2-trifluoroethylimino)butanoic acid
CID 153085878
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The IUPAC name of N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide (CID 168742254) is N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide.
What is the SMILES notation for N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The canonical SMILES for N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide is C/C(=N\CC(F)(F)F)NC(C)C.
What is the InChIKey of N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The InChIKey is YBOVUDLKXHRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)12-6(3)11-4-7(8,9)10/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide has a molecular weight of 182.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide is sourced from PubChem (CID 168742254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).