5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine

C14H15ClF6N2 — CID 171482143

IUPAC5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1nc(NCC2CCC(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C14H15ClF6N2/c15-10-5-6-11(23-12(10)14(19,20)21)22-7-8-1-3-9(4-2-8)13(16,17)18/h5-6,8-9H,1-4,7H2,(H,22,23)
InChIKeyAFLQLQWHJSBOQE-UHFFFAOYSA-N
MW360.73 g/mol
LogP5.53
Rot. Bonds3

About 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine

5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine (PubChem CID 171482143) has the molecular formula C14H15ClF6N2 and a molecular weight of 360.73 g/mol. Its IUPAC name is 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine
PubChem CID171482143
Molecular FormulaC14H15ClF6N2
Molecular Weight360.73 g/mol
Exact Mass360.08
IUPAC Name5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1nc(NCC2CCC(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C14H15ClF6N2/c15-10-5-6-11(23-12(10)14(19,20)21)22-7-8-1-3-9(4-2-8)13(16,17)18/h5-6,8-9H,1-4,7H2,(H,22,23)
InChIKeyAFLQLQWHJSBOQE-UHFFFAOYSA-N
XLogP5.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.73
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine (CID 171482143) is 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine is FC(F)(F)c1nc(NCC2CCC(C(F)(F)F)CC2)ccc1Cl.
What is the InChIKey of 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine?
The InChIKey is AFLQLQWHJSBOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF6N2/c15-10-5-6-11(23-12(10)14(19,20)21)22-7-8-1-3-9(4-2-8)13(16,17)18/h5-6,8-9H,1-4,7H2,(H,22,23).
What are the key properties of 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine?
5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine has a molecular weight of 360.73 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyridin-2-amine is sourced from PubChem (CID 171482143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).