N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine

C9H11F3N2O — CID 121294407

IUPACN-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine
SMILESCOC(CNc1ccccn1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-15-7(9(10,11)12)6-14-8-4-2-3-5-13-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNYSWXEASAMGUKM-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.07
Rot. Bonds4

About N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine

N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine (PubChem CID 121294407) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine
PubChem CID121294407
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine
SMILESCOC(CNc1ccccn1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-15-7(9(10,11)12)6-14-8-4-2-3-5-13-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNYSWXEASAMGUKM-UHFFFAOYSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine?
The IUPAC name of N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine (CID 121294407) is N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine?
The canonical SMILES for N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine is COC(CNc1ccccn1)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine?
The InChIKey is NYSWXEASAMGUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-15-7(9(10,11)12)6-14-8-4-2-3-5-13-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine?
N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine has a molecular weight of 220.19 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 121294407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).