4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol

C9H10F3NO2 — CID 77128126

IUPAC4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
SMILESCOc1cc(C(N)C(F)(F)F)ccc1O
InChIInChI=1S/C9H10F3NO2/c1-15-7-4-5(2-3-6(7)14)8(13)9(10,11)12/h2-4,8,14H,13H2,1H3
InChIKeyCZOFZBZMAKCVKN-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.96
Rot. Bonds2

About 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol

4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol (PubChem CID 77128126) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
PubChem CID77128126
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
SMILESCOc1cc(C(N)C(F)(F)F)ccc1O
InChIInChI=1S/C9H10F3NO2/c1-15-7-4-5(2-3-6(7)14)8(13)9(10,11)12/h2-4,8,14H,13H2,1H3
InChIKeyCZOFZBZMAKCVKN-UHFFFAOYSA-N
XLogP1.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-methoxyphenol;hydrochloride
CID 171240681
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
CID 56971873
ethyl (3S)-3-amino-2,2-difluoro-3-(4-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171247388
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromo-6-methoxyphenol
CID 66512189

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol?
The IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol (CID 77128126) is 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol?
The canonical SMILES for 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol is COc1cc(C(N)C(F)(F)F)ccc1O.
What is the InChIKey of 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol?
The InChIKey is CZOFZBZMAKCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-15-7-4-5(2-3-6(7)14)8(13)9(10,11)12/h2-4,8,14H,13H2,1H3.
What are the key properties of 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol?
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol has a molecular weight of 221.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol is sourced from PubChem (CID 77128126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).