N'-(2,2,2-trifluoroethyl)propanimidamide

C5H9F3N2 — CID 54449348

IUPACN'-(2,2,2-trifluoroethyl)propanimidamide
SMILESCC/C(N)=N\CC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-2-4(9)10-3-5(6,7)8/h2-3H2,1H3,(H2,9,10)
InChIKeyRQUMNTFZMGRPTB-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.32
Rot. Bonds2

About N'-(2,2,2-trifluoroethyl)propanimidamide

N'-(2,2,2-trifluoroethyl)propanimidamide (PubChem CID 54449348) has the molecular formula C5H9F3N2 and a molecular weight of 154.14 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)propanimidamide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)propanimidamide
PubChem CID54449348
Molecular FormulaC5H9F3N2
Molecular Weight154.14 g/mol
Exact Mass154.07
IUPAC NameN'-(2,2,2-trifluoroethyl)propanimidamide
SMILESCC/C(N)=N\CC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-2-4(9)10-3-5(6,7)8/h2-3H2,1H3,(H2,9,10)
InChIKeyRQUMNTFZMGRPTB-UHFFFAOYSA-N
XLogP1.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.32
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

2-fluoro-N'-propylethanimidamide;hydrochloride
CID 54758325
2-fluoro-N-propylacetamidine
CID 54758326
4,4,4-trifluoro-N'-methylbutanimidamide
CID 18727724
4-fluoro-N'-methylbutanimidamide
CID 53820824
N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 57927281
N'-(2-fluoroethyl)ethanimidamide
CID 57927690
2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 58089920
3,3-difluoro-4,5-dihydro-2H-pyridin-6-amine
CID 67592508
N'-ethyl-2-fluoroethanimidamide
CID 76473588
N'-(2,2-difluoroethyl)ethanimidamide
CID 79737108
N'-(4,4,4-trifluorobutyl)ethanimidamide
CID 79822709
N-(2,2,2-Trifluoro-ethyl)acetamidine hydrochloride
CID 86635267

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethyl)propanimidamide?
The IUPAC name of N'-(2,2,2-trifluoroethyl)propanimidamide (CID 54449348) is N'-(2,2,2-trifluoroethyl)propanimidamide.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)propanimidamide?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)propanimidamide is CC/C(N)=N\CC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)propanimidamide?
The InChIKey is RQUMNTFZMGRPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-2-4(9)10-3-5(6,7)8/h2-3H2,1H3,(H2,9,10).
What are the key properties of N'-(2,2,2-trifluoroethyl)propanimidamide?
N'-(2,2,2-trifluoroethyl)propanimidamide has a molecular weight of 154.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethyl)propanimidamide is sourced from PubChem (CID 54449348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).