[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride

C9H11ClF3NO — CID 131887014

IUPAC[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)6-14-8-3-1-2-7(4-8)5-13;/h1-4H,5-6,13H2;1H
InChIKeyQERPHAGMYLWDMS-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.51
Rot. Bonds3

About [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride

[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride (PubChem CID 131887014) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
PubChem CID131887014
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)6-14-8-3-1-2-7(4-8)5-13;/h1-4H,5-6,13H2;1H
InChIKeyQERPHAGMYLWDMS-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129160857
[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
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1-(methylsulfanylmethyl)-3-(2,2,2-trifluoroethoxy)benzene
CID 146722798
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-(2,3,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 150786633
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
methyl 2-amino-3-[3-(2,2,2-trifluoroethoxy)phenyl]propanoate
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[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride (CID 131887014) is [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride is Cl.NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is QERPHAGMYLWDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)6-14-8-3-1-2-7(4-8)5-13;/h1-4H,5-6,13H2;1H.
What are the key properties of [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride?
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 131887014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).