[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine

C8H9F3N2O — CID 18741290

IUPAC[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncccc1OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-2-1-3-13-6(7)4-12/h1-3H,4-5,12H2
InChIKeyDSJYRXARAYHCKA-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.48
Rot. Bonds3

About [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine

[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine (PubChem CID 18741290) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine
PubChem CID18741290
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine
SMILESNCc1ncccc1OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-2-1-3-13-6(7)4-12/h1-3H,4-5,12H2
InChIKeyDSJYRXARAYHCKA-UHFFFAOYSA-N
XLogP1.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 178052
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CID 2800156
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CID 5310969
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CID 9794141
CID 9794141
CID 9794401
CID 9794401
CID 10241442
CID 10241442
CID 22053540
CID 22053540
CID 2735921
CID 2735921
CID 2735906
CID 2735906
CID 450860
CID 450860
CID 9793858
CID 9793858
CID 10197862
CID 10197862

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine (CID 18741290) is [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine is NCc1ncccc1OCC(F)(F)F.
What is the InChIKey of [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine?
The InChIKey is DSJYRXARAYHCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-2-1-3-13-6(7)4-12/h1-3H,4-5,12H2.
What are the key properties of [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine?
[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 18741290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).