N'-(2,6-difluorophenyl)propanimidamide

C9H10F2N2 — CID 63178619

IUPACN'-(2,6-difluorophenyl)propanimidamide
SMILESCC/C(N)=N\c1c(F)cccc1F
InChIInChI=1S/C9H10F2N2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H2,12,13)
InChIKeyPYGKTXIEIWMQLJ-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.36
Rot. Bonds2

About N'-(2,6-difluorophenyl)propanimidamide

N'-(2,6-difluorophenyl)propanimidamide (PubChem CID 63178619) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)propanimidamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)propanimidamide
PubChem CID63178619
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN'-(2,6-difluorophenyl)propanimidamide
SMILESCC/C(N)=N\c1c(F)cccc1F
InChIInChI=1S/C9H10F2N2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H2,12,13)
InChIKeyPYGKTXIEIWMQLJ-UHFFFAOYSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.36
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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Related Compounds

N'-(2,3,5,6-tetrafluorophenyl)propanimidamide
CID 107646072
N-(2-fluoro-6-methylphenyl)butan-2-imine
CID 142004237
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
2-chloro-N'-[2-fluoro-6-(3-methoxypropylamino)phenyl]ethanimidamide
CID 169368485
methyl N-(2,6-difluorophenyl)-2-methylpropanimidothioate
CID 22019228
N-amino-N'-(2,3-difluorophenyl)propanimidamide
CID 67571427
N'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
N'-(2-propylphenyl)propanimidamide
CID 63177634
N'-quinolin-5-ylpropanimidamide
CID 63174316
N'-quinolin-8-ylpropanimidamide
CID 63174469
N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide
CID 89276256

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)propanimidamide?
The IUPAC name of N'-(2,6-difluorophenyl)propanimidamide (CID 63178619) is N'-(2,6-difluorophenyl)propanimidamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)propanimidamide?
The canonical SMILES for N'-(2,6-difluorophenyl)propanimidamide is CC/C(N)=N\c1c(F)cccc1F.
What is the InChIKey of N'-(2,6-difluorophenyl)propanimidamide?
The InChIKey is PYGKTXIEIWMQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H2,12,13).
What are the key properties of N'-(2,6-difluorophenyl)propanimidamide?
N'-(2,6-difluorophenyl)propanimidamide has a molecular weight of 184.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)propanimidamide is sourced from PubChem (CID 63178619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).