3-(2,2,2-trifluoroethoxy)pentanimidamide

C7H13F3N2O — CID 43368483

IUPAC3-(2,2,2-trifluoroethoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)OCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-5(3-6(11)12)13-4-7(8,9)10/h5H,2-4H2,1H3,(H3,11,12)
InChIKeyXODSEGXMHNKOSQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.67
Rot. Bonds5

About 3-(2,2,2-trifluoroethoxy)pentanimidamide

3-(2,2,2-trifluoroethoxy)pentanimidamide (PubChem CID 43368483) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pentanimidamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pentanimidamide
PubChem CID43368483
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name3-(2,2,2-trifluoroethoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)OCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-5(3-6(11)12)13-4-7(8,9)10/h5H,2-4H2,1H3,(H3,11,12)
InChIKeyXODSEGXMHNKOSQ-UHFFFAOYSA-N
XLogP1.67
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(2,2,2-trifluoroethoxy)pentanimidamide?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pentanimidamide (CID 43368483) is 3-(2,2,2-trifluoroethoxy)pentanimidamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pentanimidamide?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pentanimidamide is [H]/N=C(\N)CC(CC)OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pentanimidamide?
The InChIKey is XODSEGXMHNKOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-5(3-6(11)12)13-4-7(8,9)10/h5H,2-4H2,1H3,(H3,11,12).
What are the key properties of 3-(2,2,2-trifluoroethoxy)pentanimidamide?
3-(2,2,2-trifluoroethoxy)pentanimidamide has a molecular weight of 198.19 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)pentanimidamide is sourced from PubChem (CID 43368483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).