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

C5H8F3N3 — CID 90050639

IUPACN'-(2,2,2-trifluoroethanimidoyl)propanimidamide
SMILES[H]/N=C(\N=C(\N)CC)C(F)(F)F
InChIInChI=1S/C5H8F3N3/c1-2-3(9)11-4(10)5(6,7)8/h2H2,1H3,(H3,9,10,11)
InChIKeyFAWSVIHXWQFYPV-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.29
Rot. Bonds1

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

N'-(2,2,2-trifluoroethanimidoyl)propanimidamide (PubChem CID 90050639) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethanimidoyl)propanimidamide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethanimidoyl)propanimidamide
PubChem CID90050639
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC NameN'-(2,2,2-trifluoroethanimidoyl)propanimidamide
SMILES[H]/N=C(\N=C(\N)CC)C(F)(F)F
InChIInChI=1S/C5H8F3N3/c1-2-3(9)11-4(10)5(6,7)8/h2H2,1H3,(H3,9,10,11)
InChIKeyFAWSVIHXWQFYPV-UHFFFAOYSA-N
XLogP1.29
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.29
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 N'-(2,2,2-trifluoroethanimidoyl)propanimidamide?
The IUPAC name of N'-(2,2,2-trifluoroethanimidoyl)propanimidamide (CID 90050639) is N'-(2,2,2-trifluoroethanimidoyl)propanimidamide.
What is the SMILES notation for N'-(2,2,2-trifluoroethanimidoyl)propanimidamide?
The canonical SMILES for N'-(2,2,2-trifluoroethanimidoyl)propanimidamide is [H]/N=C(\N=C(\N)CC)C(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethanimidoyl)propanimidamide?
The InChIKey is FAWSVIHXWQFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3/c1-2-3(9)11-4(10)5(6,7)8/h2H2,1H3,(H3,9,10,11).
What are the key properties of N'-(2,2,2-trifluoroethanimidoyl)propanimidamide?
N'-(2,2,2-trifluoroethanimidoyl)propanimidamide has a molecular weight of 167.13 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethanimidoyl)propanimidamide is sourced from PubChem (CID 90050639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).