N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline

C14H16F5N — CID 63540552

IUPACN-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline
SMILESCCC1CCC(Nc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H16F5N/c1-2-7-3-5-8(6-4-7)20-14-12(18)10(16)9(15)11(17)13(14)19/h7-8,20H,2-6H2,1H3
InChIKeyYFVIVZALKCVFLB-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.76
Rot. Bonds3

About N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline

N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline (PubChem CID 63540552) has the molecular formula C14H16F5N and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline
PubChem CID63540552
Molecular FormulaC14H16F5N
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC NameN-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline
SMILESCCC1CCC(Nc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H16F5N/c1-2-7-3-5-8(6-4-7)20-14-12(18)10(16)9(15)11(17)13(14)19/h7-8,20H,2-6H2,1H3
InChIKeyYFVIVZALKCVFLB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline (CID 63540552) is N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline is CCC1CCC(Nc2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline?
The InChIKey is YFVIVZALKCVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N/c1-2-7-3-5-8(6-4-7)20-14-12(18)10(16)9(15)11(17)13(14)19/h7-8,20H,2-6H2,1H3.
What are the key properties of N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline?
N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline has a molecular weight of 293.28 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 63540552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).