[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride

C8H11Cl2F3N2O — CID 154617782

IUPAC[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O.2ClH/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7;;/h1-3H,4-5,12H2;2*1H
InChIKeyVFQZLCDOKUPCJP-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.33
Rot. Bonds3

About [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride

[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride (PubChem CID 154617782) has the molecular formula C8H11Cl2F3N2O and a molecular weight of 279.09 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
PubChem CID154617782
Molecular FormulaC8H11Cl2F3N2O
Molecular Weight279.09 g/mol
Exact Mass278.02
IUPAC Name[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O.2ClH/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7;;/h1-3H,4-5,12H2;2*1H
InChIKeyVFQZLCDOKUPCJP-UHFFFAOYSA-N
XLogP2.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70983747
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 69248069
2-(aminomethyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119847075
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
1-propan-2-yl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050187
[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
CID 168955789
cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
CID 178036037
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride (CID 154617782) is [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride?
The InChIKey is VFQZLCDOKUPCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.2ClH/c9-8(10,11)5-14-7-3-6(4-12)1-2-13-7;;/h1-3H,4-5,12H2;2*1H.
What are the key properties of [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride?
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride has a molecular weight of 279.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 154617782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).