N-cyclohexyl-2,3,4-trifluoro-N-methylaniline

C13H16F3N — CID 110454518

IUPACN-cyclohexyl-2,3,4-trifluoro-N-methylaniline
SMILESCN(c1ccc(F)c(F)c1F)C1CCCCC1
InChIInChI=1S/C13H16F3N/c1-17(9-5-3-2-4-6-9)11-8-7-10(14)12(15)13(11)16/h7-9H,2-6H2,1H3
InChIKeyRWICKHCLQNLMCO-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.87
Rot. Bonds2

About N-cyclohexyl-2,3,4-trifluoro-N-methylaniline

N-cyclohexyl-2,3,4-trifluoro-N-methylaniline (PubChem CID 110454518) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-cyclohexyl-2,3,4-trifluoro-N-methylaniline.

Molecular Properties

Compound NameN-cyclohexyl-2,3,4-trifluoro-N-methylaniline
PubChem CID110454518
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-cyclohexyl-2,3,4-trifluoro-N-methylaniline
SMILESCN(c1ccc(F)c(F)c1F)C1CCCCC1
InChIInChI=1S/C13H16F3N/c1-17(9-5-3-2-4-6-9)11-8-7-10(14)12(15)13(11)16/h7-9H,2-6H2,1H3
InChIKeyRWICKHCLQNLMCO-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,4-trifluoro-N-methylaniline?
The IUPAC name of N-cyclohexyl-2,3,4-trifluoro-N-methylaniline (CID 110454518) is N-cyclohexyl-2,3,4-trifluoro-N-methylaniline.
What is the SMILES notation for N-cyclohexyl-2,3,4-trifluoro-N-methylaniline?
The canonical SMILES for N-cyclohexyl-2,3,4-trifluoro-N-methylaniline is CN(c1ccc(F)c(F)c1F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,3,4-trifluoro-N-methylaniline?
The InChIKey is RWICKHCLQNLMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-17(9-5-3-2-4-6-9)11-8-7-10(14)12(15)13(11)16/h7-9H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-2,3,4-trifluoro-N-methylaniline?
N-cyclohexyl-2,3,4-trifluoro-N-methylaniline has a molecular weight of 243.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,4-trifluoro-N-methylaniline is sourced from PubChem (CID 110454518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).