N'-(2,3-dimethylphenyl)carbamimidoyl fluoride

C9H11FN2 — CID 163630481

IUPACN'-(2,3-dimethylphenyl)carbamimidoyl fluoride
SMILESCc1cccc(/N=C(/N)F)c1C
InChIInChI=1S/C9H11FN2/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyHVQCCNBWPWRQFR-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.22
Rot. Bonds1

About N'-(2,3-dimethylphenyl)carbamimidoyl fluoride

N'-(2,3-dimethylphenyl)carbamimidoyl fluoride (PubChem CID 163630481) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)carbamimidoyl fluoride.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)carbamimidoyl fluoride
PubChem CID163630481
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC NameN'-(2,3-dimethylphenyl)carbamimidoyl fluoride
SMILESCc1cccc(/N=C(/N)F)c1C
InChIInChI=1S/C9H11FN2/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyHVQCCNBWPWRQFR-UHFFFAOYSA-N
XLogP2.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.22
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)carbamimidoyl fluoride?
The IUPAC name of N'-(2,3-dimethylphenyl)carbamimidoyl fluoride (CID 163630481) is N'-(2,3-dimethylphenyl)carbamimidoyl fluoride.
What is the SMILES notation for N'-(2,3-dimethylphenyl)carbamimidoyl fluoride?
The canonical SMILES for N'-(2,3-dimethylphenyl)carbamimidoyl fluoride is Cc1cccc(/N=C(/N)F)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)carbamimidoyl fluoride?
The InChIKey is HVQCCNBWPWRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5H,1-2H3,(H2,11,12).
What are the key properties of N'-(2,3-dimethylphenyl)carbamimidoyl fluoride?
N'-(2,3-dimethylphenyl)carbamimidoyl fluoride has a molecular weight of 166.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)carbamimidoyl fluoride is sourced from PubChem (CID 163630481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).