2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine

C9H9F4NO — CID 83410120

IUPAC2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
SMILESNCCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C9H9F4NO/c10-8-2-1-7(15-9(11,12)13)5-6(8)3-4-14/h1-2,5H,3-4,14H2
InChIKeyJUXRMECEWRBXHG-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine

2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 83410120) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
PubChem CID83410120
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
SMILESNCCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C9H9F4NO/c10-8-2-1-7(15-9(11,12)13)5-6(8)3-4-14/h1-2,5H,3-4,14H2
InChIKeyJUXRMECEWRBXHG-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
CID 34176010
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
1-(3-chloropropyl)-2-fluoro-4-(trifluoromethoxy)benzene
CID 118813230
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
3-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828896
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
2-(bromomethyl)-4-(trifluoromethoxy)aniline
CID 119013247

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine (CID 83410120) is 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine is NCCc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is JUXRMECEWRBXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8-2-1-7(15-9(11,12)13)5-6(8)3-4-14/h1-2,5H,3-4,14H2.
What are the key properties of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine?
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 83410120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).