[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine

C9H11F3N2O — CID 70982353

IUPAC[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OCCC(F)(F)F)ccn1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)2-4-15-8-1-3-14-7(5-8)6-13/h1,3,5H,2,4,6,13H2
InChIKeyPKSHOVWRULUWHZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.87
Rot. Bonds4

About [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine

[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine (PubChem CID 70982353) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine
PubChem CID70982353
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OCCC(F)(F)F)ccn1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)2-4-15-8-1-3-14-7(5-8)6-13/h1,3,5H,2,4,6,13H2
InChIKeyPKSHOVWRULUWHZ-UHFFFAOYSA-N
XLogP1.87
TPSA48.14 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine (CID 70982353) is [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine is NCc1cc(OCCC(F)(F)F)ccn1.
What is the InChIKey of [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine?
The InChIKey is PKSHOVWRULUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)2-4-15-8-1-3-14-7(5-8)6-13/h1,3,5H,2,4,6,13H2.
What are the key properties of [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine?
[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine has a molecular weight of 220.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 70982353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).