3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine

C9H8F6N2 — CID 63226841

IUPAC3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESFC(F)(F)CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H8F6N2/c10-8(11,12)3-5-17-7-6(9(13,14)15)2-1-4-16-7/h1-2,4H,3,5H2,(H,16,17)
InChIKeyPAGNUQUFUNKZMB-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.46
Rot. Bonds3

About 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine

3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 63226841) has the molecular formula C9H8F6N2 and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID63226841
Molecular FormulaC9H8F6N2
Molecular Weight258.16 g/mol
Exact Mass258.06
IUPAC Name3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESFC(F)(F)CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H8F6N2/c10-8(11,12)3-5-17-7-6(9(13,14)15)2-1-4-16-7/h1-2,4H,3,5H2,(H,16,17)
InChIKeyPAGNUQUFUNKZMB-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 63226841) is 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine is FC(F)(F)CCNc1ncccc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is PAGNUQUFUNKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2/c10-8(11,12)3-5-17-7-6(9(13,14)15)2-1-4-16-7/h1-2,4H,3,5H2,(H,16,17).
What are the key properties of 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine has a molecular weight of 258.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 63226841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).