4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine

C12H14F4N2 — CID 10635188

IUPAC4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine
SMILESNc1c(F)c(F)c(NC2CCCCC2)c(F)c1F
InChIInChI=1S/C12H14F4N2/c13-7-9(15)12(10(16)8(14)11(7)17)18-6-4-2-1-3-5-6/h6,18H,1-5,17H2
InChIKeyCMPNYFHPJBDADF-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.57
Rot. Bonds2

About 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine

4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine (PubChem CID 10635188) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine
PubChem CID10635188
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine
SMILESNc1c(F)c(F)c(NC2CCCCC2)c(F)c1F
InChIInChI=1S/C12H14F4N2/c13-7-9(15)12(10(16)8(14)11(7)17)18-6-4-2-1-3-5-6/h6,18H,1-5,17H2
InChIKeyCMPNYFHPJBDADF-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine (CID 10635188) is 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine is Nc1c(F)c(F)c(NC2CCCCC2)c(F)c1F.
What is the InChIKey of 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine?
The InChIKey is CMPNYFHPJBDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-7-9(15)12(10(16)8(14)11(7)17)18-6-4-2-1-3-5-6/h6,18H,1-5,17H2.
What are the key properties of 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine?
4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine has a molecular weight of 262.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2,3,5,6-tetrafluorobenzene-1,4-diamine is sourced from PubChem (CID 10635188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).