4-butanimidoyl-2-fluoroaniline

C10H13FN2 — CID 174484093

IUPAC4-butanimidoyl-2-fluoroaniline
SMILES[H]/N=C(\CCC)c1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2/c1-2-3-9(12)7-4-5-10(13)8(11)6-7/h4-6,12H,2-3,13H2,1H3/b12-9+
InChIKeyMMEMKNKDCRNVOG-FMIVXFBMSA-N
MW180.23 g/mol
LogP2.58
Rot. Bonds3

About 4-butanimidoyl-2-fluoroaniline

4-butanimidoyl-2-fluoroaniline (PubChem CID 174484093) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-butanimidoyl-2-fluoroaniline.

Molecular Properties

Compound Name4-butanimidoyl-2-fluoroaniline
PubChem CID174484093
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-butanimidoyl-2-fluoroaniline
SMILES[H]/N=C(\CCC)c1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2/c1-2-3-9(12)7-4-5-10(13)8(11)6-7/h4-6,12H,2-3,13H2,1H3/b12-9+
InChIKeyMMEMKNKDCRNVOG-FMIVXFBMSA-N
XLogP2.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butanimidoyl-2-fluoroaniline?
The IUPAC name of 4-butanimidoyl-2-fluoroaniline (CID 174484093) is 4-butanimidoyl-2-fluoroaniline.
What is the SMILES notation for 4-butanimidoyl-2-fluoroaniline?
The canonical SMILES for 4-butanimidoyl-2-fluoroaniline is [H]/N=C(\CCC)c1ccc(N)c(F)c1.
What is the InChIKey of 4-butanimidoyl-2-fluoroaniline?
The InChIKey is MMEMKNKDCRNVOG-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H13FN2/c1-2-3-9(12)7-4-5-10(13)8(11)6-7/h4-6,12H,2-3,13H2,1H3/b12-9+.
What are the key properties of 4-butanimidoyl-2-fluoroaniline?
4-butanimidoyl-2-fluoroaniline has a molecular weight of 180.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanimidoyl-2-fluoroaniline is sourced from PubChem (CID 174484093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).