(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride

C9H10ClF4NO — CID 171242886

IUPAC(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(F)c([C@@H](N)C(F)(F)F)c1.Cl
InChIInChI=1S/C9H9F4NO.ClH/c1-15-5-2-3-7(10)6(4-5)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m1./s1
InChIKeyXRSGFAXLUQCSBP-DDWIOCJRSA-N
MW259.63 g/mol
LogP2.82
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 171242886) has the molecular formula C9H10ClF4NO and a molecular weight of 259.63 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
PubChem CID171242886
Molecular FormulaC9H10ClF4NO
Molecular Weight259.63 g/mol
Exact Mass259.04
IUPAC Name(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(F)c([C@@H](N)C(F)(F)F)c1.Cl
InChIInChI=1S/C9H9F4NO.ClH/c1-15-5-2-3-7(10)6(4-5)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m1./s1
InChIKeyXRSGFAXLUQCSBP-DDWIOCJRSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.63
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245
(3S)-3-amino-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171242892
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
2-(1-bromoethyl)-1-fluoro-4-methoxybenzene
CID 130132946
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride (CID 171242886) is (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(F)c([C@@H](N)C(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is XRSGFAXLUQCSBP-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9F4NO.ClH/c1-15-5-2-3-7(10)6(4-5)8(14)9(11,12)13;/h2-4,8H,14H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 259.63 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171242886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).