4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine

C8H11F3N2 — CID 123434804

IUPAC4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine
SMILESCC1(C)C=C(C(F)(F)F)N=C(N)C1
InChIInChI=1S/C8H11F3N2/c1-7(2)3-5(8(9,10)11)13-6(12)4-7/h3H,4H2,1-2H3,(H2,12,13)
InChIKeyAHNRUPMZMBHIHG-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.22
Rot. Bonds

About 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine

4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine (PubChem CID 123434804) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine
PubChem CID123434804
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine
SMILESCC1(C)C=C(C(F)(F)F)N=C(N)C1
InChIInChI=1S/C8H11F3N2/c1-7(2)3-5(8(9,10)11)13-6(12)4-7/h3H,4H2,1-2H3,(H2,12,13)
InChIKeyAHNRUPMZMBHIHG-UHFFFAOYSA-N
XLogP2.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine?
The IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine (CID 123434804) is 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine.
What is the SMILES notation for 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine?
The canonical SMILES for 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine is CC1(C)C=C(C(F)(F)F)N=C(N)C1.
What is the InChIKey of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine?
The InChIKey is AHNRUPMZMBHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-7(2)3-5(8(9,10)11)13-6(12)4-7/h3H,4H2,1-2H3,(H2,12,13).
What are the key properties of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine?
4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine is sourced from PubChem (CID 123434804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).