3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide

C9H11F3N2O2 — CID 103370914

IUPAC3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7(8(13)14)5-15-4-6-2-1-3-16-6/h1-3,7H,4-5H2,(H3,13,14)
InChIKeyBEKCGNHQZHFSSU-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.91
Rot. Bonds5

About 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide

3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide (PubChem CID 103370914) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide
PubChem CID103370914
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7(8(13)14)5-15-4-6-2-1-3-16-6/h1-3,7H,4-5H2,(H3,13,14)
InChIKeyBEKCGNHQZHFSSU-UHFFFAOYSA-N
XLogP1.91
TPSA72.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide (CID 103370914) is 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide is [H]/N=C(\N)C(COCc1ccco1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide?
The InChIKey is BEKCGNHQZHFSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)7(8(13)14)5-15-4-6-2-1-3-16-6/h1-3,7H,4-5H2,(H3,13,14).
What are the key properties of 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide?
3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide has a molecular weight of 236.19 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(furan-2-ylmethoxymethyl)propanimidamide is sourced from PubChem (CID 103370914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).