5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline

C10H11ClF2N2 — CID 174036055

IUPAC5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline
SMILESCCc1cc(C=NC(F)F)c(N)cc1Cl
InChIInChI=1S/C10H11ClF2N2/c1-2-6-3-7(5-15-10(12)13)9(14)4-8(6)11/h3-5,10H,2,14H2,1H3
InChIKeyLFKBTSGHAVNSPL-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.13
Rot. Bonds3

About 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline

5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline (PubChem CID 174036055) has the molecular formula C10H11ClF2N2 and a molecular weight of 232.66 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline
PubChem CID174036055
Molecular FormulaC10H11ClF2N2
Molecular Weight232.66 g/mol
Exact Mass232.06
IUPAC Name5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline
SMILESCCc1cc(C=NC(F)F)c(N)cc1Cl
InChIInChI=1S/C10H11ClF2N2/c1-2-6-3-7(5-15-10(12)13)9(14)4-8(6)11/h3-5,10H,2,14H2,1H3
InChIKeyLFKBTSGHAVNSPL-UHFFFAOYSA-N
XLogP3.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline?
The IUPAC name of 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline (CID 174036055) is 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline.
What is the SMILES notation for 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline?
The canonical SMILES for 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline is CCc1cc(C=NC(F)F)c(N)cc1Cl.
What is the InChIKey of 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline?
The InChIKey is LFKBTSGHAVNSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2/c1-2-6-3-7(5-15-10(12)13)9(14)4-8(6)11/h3-5,10H,2,14H2,1H3.
What are the key properties of 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline?
5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline has a molecular weight of 232.66 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyliminomethyl)-4-ethylaniline is sourced from PubChem (CID 174036055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).