2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine

C9H9F4NO — CID 43561288

IUPAC2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)C(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4NO/c1-15-5-2-3-6(7(10)4-5)8(14)9(11,12)13/h2-4,8H,14H2,1H3
InChIKeyJSOLLWSARAHHLY-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.40
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine

2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 43561288) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
PubChem CID43561288
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)C(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4NO/c1-15-5-2-3-6(7(10)4-5)8(14)9(11,12)13/h2-4,8H,14H2,1H3
InChIKeyJSOLLWSARAHHLY-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 171242886
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246300
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
2-ethoxy-2-ethyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 103395886
ethyl (3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 171246292
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine (CID 43561288) is 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)C(F)(F)F)c(F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is JSOLLWSARAHHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-15-5-2-3-6(7(10)4-5)8(14)9(11,12)13/h2-4,8H,14H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine?
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43561288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).