(E)-3-(2,6-difluorophenyl)prop-2-enimidamide

C9H8F2N2 — CID 131242918

IUPAC(E)-3-(2,6-difluorophenyl)prop-2-enimidamide
SMILES[H]/N=C(N)/C=C/c1c(F)cccc1F
InChIInChI=1S/C9H8F2N2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H3,12,13)/b5-4+
InChIKeyHOQMZWVBKKKJEY-SNAWJCMRSA-N
MW182.17 g/mol
LogP1.91
Rot. Bonds2

About (E)-3-(2,6-difluorophenyl)prop-2-enimidamide

(E)-3-(2,6-difluorophenyl)prop-2-enimidamide (PubChem CID 131242918) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)prop-2-enimidamide
PubChem CID131242918
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name(E)-3-(2,6-difluorophenyl)prop-2-enimidamide
SMILES[H]/N=C(N)/C=C/c1c(F)cccc1F
InChIInChI=1S/C9H8F2N2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H3,12,13)/b5-4+
InChIKeyHOQMZWVBKKKJEY-SNAWJCMRSA-N
XLogP1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.91
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 (E)-3-(2,6-difluorophenyl)prop-2-enimidamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)prop-2-enimidamide (CID 131242918) is (E)-3-(2,6-difluorophenyl)prop-2-enimidamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)prop-2-enimidamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)prop-2-enimidamide is [H]/N=C(N)/C=C/c1c(F)cccc1F.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)prop-2-enimidamide?
The InChIKey is HOQMZWVBKKKJEY-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8F2N2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H3,12,13)/b5-4+.
What are the key properties of (E)-3-(2,6-difluorophenyl)prop-2-enimidamide?
(E)-3-(2,6-difluorophenyl)prop-2-enimidamide has a molecular weight of 182.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)prop-2-enimidamide is sourced from PubChem (CID 131242918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).