N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide

C10H10F2N2 — CID 123611073

IUPACN'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide
SMILESC=C(/N=C(\C)N)c1c(F)cccc1F
InChIInChI=1S/C10H10F2N2/c1-6(14-7(2)13)10-8(11)4-3-5-9(10)12/h3-5H,1H2,2H3,(H2,13,14)
InChIKeyBJKQINVRAHRVJQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.31
Rot. Bonds2

About N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide

N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide (PubChem CID 123611073) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide
PubChem CID123611073
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC NameN'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide
SMILESC=C(/N=C(\C)N)c1c(F)cccc1F
InChIInChI=1S/C10H10F2N2/c1-6(14-7(2)13)10-8(11)4-3-5-9(10)12/h3-5H,1H2,2H3,(H2,13,14)
InChIKeyBJKQINVRAHRVJQ-UHFFFAOYSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
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'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide?
The IUPAC name of N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide (CID 123611073) is N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide.
What is the SMILES notation for N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide?
The canonical SMILES for N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide is C=C(/N=C(\C)N)c1c(F)cccc1F.
What is the InChIKey of N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide?
The InChIKey is BJKQINVRAHRVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-6(14-7(2)13)10-8(11)4-3-5-9(10)12/h3-5H,1H2,2H3,(H2,13,14).
What are the key properties of N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide?
N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide has a molecular weight of 196.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,6-difluorophenyl)ethenyl]ethanimidamide is sourced from PubChem (CID 123611073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).