N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline

C14H17F4N — CID 107643882

IUPACN-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
SMILESCCC1CCCCC1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H17F4N/c1-2-8-5-3-4-6-11(8)19-14-12(17)9(15)7-10(16)13(14)18/h7-8,11,19H,2-6H2,1H3
InChIKeyQCEKGAIABJOOMP-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.62
Rot. Bonds3

About N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline

N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline (PubChem CID 107643882) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
PubChem CID107643882
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC NameN-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
SMILESCCC1CCCCC1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H17F4N/c1-2-8-5-3-4-6-11(8)19-14-12(17)9(15)7-10(16)13(14)18/h7-8,11,19H,2-6H2,1H3
InChIKeyQCEKGAIABJOOMP-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline (CID 107643882) is N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline is CCC1CCCCC1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
The InChIKey is QCEKGAIABJOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-2-8-5-3-4-6-11(8)19-14-12(17)9(15)7-10(16)13(14)18/h7-8,11,19H,2-6H2,1H3.
What are the key properties of N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline?
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline has a molecular weight of 275.29 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).