2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide

C7H14F3N3 — CID 61604513

IUPAC2-[propyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESCCCN(CC(=N)N)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-2-3-13(4-6(11)12)5-7(8,9)10/h2-5H2,1H3,(H3,11,12)
InChIKeyVPQDGHPEJKXVBK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds5

About 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide

2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide (PubChem CID 61604513) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide
PubChem CID61604513
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESCCCN(CC(=N)N)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-2-3-13(4-6(11)12)5-7(8,9)10/h2-5H2,1H3,(H3,11,12)
InChIKeyVPQDGHPEJKXVBK-UHFFFAOYSA-N
XLogP1.30
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity167

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[Methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 28387397
2-[Methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 60891570
4-[Methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 60891752
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60891945
3-[2,2-Difluoroethyl(methyl)amino]propanimidamide
CID 60921772
3-[Ethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61576470
3-[2,2-Difluoroethyl(ethyl)amino]propanimidamide
CID 61576497
3-[2,2-Difluoroethyl(methyl)amino]-2-methylpropanimidamide
CID 61577850
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 61604442
2-[Ethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 61604532
4-[Ethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61604533
4-[Propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61604535

Frequently Asked Questions

What is the IUPAC name of 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The IUPAC name of 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide (CID 61604513) is 2-[propyl(2,2,2-trifluoroethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The canonical SMILES for 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide is CCCN(CC(=N)N)CC(F)(F)F.
What is the InChIKey of 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The InChIKey is VPQDGHPEJKXVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-2-3-13(4-6(11)12)5-7(8,9)10/h2-5H2,1H3,(H3,11,12).
What are the key properties of 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide has a molecular weight of 197.20 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[Propyl(2,2,2-trifluoroethyl)amino]ethanimidamide is sourced from PubChem (CID 61604513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).