2-(4-fluorophenyl)-N,N-dimethylethanimidamide

C10H13FN2 — CID 63182016

IUPAC2-(4-fluorophenyl)-N,N-dimethylethanimidamide
SMILES[H]/N=C(/Cc1ccc(F)cc1)N(C)C
InChIInChI=1S/C10H13FN2/c1-13(2)10(12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3/b12-10-
InChIKeyAQCGJVRTTZNYJC-BENRWUELSA-N
MW180.23 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-fluorophenyl)-N,N-dimethylethanimidamide

2-(4-fluorophenyl)-N,N-dimethylethanimidamide (PubChem CID 63182016) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dimethylethanimidamide
PubChem CID63182016
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-(4-fluorophenyl)-N,N-dimethylethanimidamide
SMILES[H]/N=C(/Cc1ccc(F)cc1)N(C)C
InChIInChI=1S/C10H13FN2/c1-13(2)10(12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3/b12-10-
InChIKeyAQCGJVRTTZNYJC-BENRWUELSA-N
XLogP1.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.91
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 2-(4-fluorophenyl)-N,N-dimethylethanimidamide?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dimethylethanimidamide (CID 63182016) is 2-(4-fluorophenyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dimethylethanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dimethylethanimidamide is [H]/N=C(/Cc1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dimethylethanimidamide?
The InChIKey is AQCGJVRTTZNYJC-BENRWUELSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13(2)10(12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3/b12-10-.
What are the key properties of 2-(4-fluorophenyl)-N,N-dimethylethanimidamide?
2-(4-fluorophenyl)-N,N-dimethylethanimidamide has a molecular weight of 180.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 63182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).