(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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Related Compounds

(E)-3-(2,5-difluorophenyl)prop-2-enimidamide
CID 131235312
(E)-4-(2,6-difluorophenyl)but-3-en-2-one
CID 18371119
(E)-3-(2,6-difluorophenyl)prop-2-enoyl chloride
CID 11424232
2-(2-bromoethenyl)-1,3-difluorobenzene
CID 123354850
(2,6-difluorophenyl)methylideneurea
CID 152634177
(E)-1-(4-tert-butylphenyl)-3-(2,6-difluorophenyl)prop-2-en-1-one
CID 7967102
(E)-3-(2,6-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 121234286
N-(3-amino-2-hydroxypropyl)-3-(2,6-difluorophenyl)prop-2-enamide
CID 136556034
(Z)-4-imino-4-phenylbut-2-enimidamide
CID 143937504
4-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]benzonitrile
CID 17469018
(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide
CID 89228433
1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
CID 2780185

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).