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

C13H14F4N2 — CID 5051234

IUPACN-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline
SMILESFc1cc(F)c(F)c(NN=CC2CCCCC2)c1F
InChIInChI=1S/C13H14F4N2/c14-9-6-10(15)12(17)13(11(9)16)19-18-7-8-4-2-1-3-5-8/h6-8,19H,1-5H2
InChIKeyIHYCPHKWYVQSGI-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.22
Rot. Bonds3

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

N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline (PubChem CID 5051234) has the molecular formula C13H14F4N2 and a molecular weight of 274.26 g/mol. Its IUPAC name is N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline
PubChem CID5051234
Molecular FormulaC13H14F4N2
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC NameN-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline
SMILESFc1cc(F)c(F)c(NN=CC2CCCCC2)c1F
InChIInChI=1S/C13H14F4N2/c14-9-6-10(15)12(17)13(11(9)16)19-18-7-8-4-2-1-3-5-8/h6-8,19H,1-5H2
InChIKeyIHYCPHKWYVQSGI-UHFFFAOYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline (CID 5051234) is N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline is Fc1cc(F)c(F)c(NN=CC2CCCCC2)c1F.
What is the InChIKey of N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline?
The InChIKey is IHYCPHKWYVQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2/c14-9-6-10(15)12(17)13(11(9)16)19-18-7-8-4-2-1-3-5-8/h6-8,19H,1-5H2.
What are the key properties of N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline?
N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline has a molecular weight of 274.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethylideneamino)-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 5051234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).