N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2 — CID 79267996

IUPACN-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(CCl)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2/c1-7(2)8(6-12)16-10-5-3-4-9(17-10)11(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyUGMPFVQFEPFFOU-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.78
Rot. Bonds4

About N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79267996) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79267996
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(CCl)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2/c1-7(2)8(6-12)16-10-5-3-4-9(17-10)11(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyUGMPFVQFEPFFOU-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 79267996) is N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is CC(C)C(CCl)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UGMPFVQFEPFFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-7(2)8(6-12)16-10-5-3-4-9(17-10)11(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79267996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).