N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine

C11H12F6N2O — CID 102719676

IUPACN-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCC(F)(F)F)n1
InChIInChI=1S/C11H12F6N2O/c1-2-3-18-8-4-7(11(15,16)17)5-9(19-8)20-6-10(12,13)14/h4-5H,2-3,6H2,1H3,(H,18,19)
InChIKeyMBYIGBQUMHVYGM-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.86
Rot. Bonds5

About N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719676) has the molecular formula C11H12F6N2O and a molecular weight of 302.22 g/mol. Its IUPAC name is N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719676
Molecular FormulaC11H12F6N2O
Molecular Weight302.22 g/mol
Exact Mass302.09
IUPAC NameN-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCC(F)(F)F)n1
InChIInChI=1S/C11H12F6N2O/c1-2-3-18-8-4-7(11(15,16)17)5-9(19-8)20-6-10(12,13)14/h4-5H,2-3,6H2,1H3,(H,18,19)
InChIKeyMBYIGBQUMHVYGM-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
6-cyclohexyloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719671
6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719676) is N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(OCC(F)(F)F)n1.
What is the InChIKey of N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MBYIGBQUMHVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O/c1-2-3-18-8-4-7(11(15,16)17)5-9(19-8)20-6-10(12,13)14/h4-5H,2-3,6H2,1H3,(H,18,19).
What are the key properties of N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.22 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).