4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride

C11H13ClF5NO2 — CID 171312194

IUPAC4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@@H](N)C(F)(F)C(F)(F)F)ccc1O.Cl
InChIInChI=1S/C11H12F5NO2.ClH/c1-2-19-8-5-6(3-4-7(8)18)9(17)10(12,13)11(14,15)16;/h3-5,9,18H,2,17H2,1H3;1H/t9-;/m1./s1
InChIKeyALMOPCIAZOVBDA-SBSPUUFOSA-N
MW321.67 g/mol
LogP3.41
Rot. Bonds4

About 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride

4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride (PubChem CID 171312194) has the molecular formula C11H13ClF5NO2 and a molecular weight of 321.67 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride
PubChem CID171312194
Molecular FormulaC11H13ClF5NO2
Molecular Weight321.67 g/mol
Exact Mass321.06
IUPAC Name4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@@H](N)C(F)(F)C(F)(F)F)ccc1O.Cl
InChIInChI=1S/C11H12F5NO2.ClH/c1-2-19-8-5-6(3-4-7(8)18)9(17)10(12,13)11(14,15)16;/h3-5,9,18H,2,17H2,1H3;1H/t9-;/m1./s1
InChIKeyALMOPCIAZOVBDA-SBSPUUFOSA-N
XLogP3.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.67
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2-ethoxyphenol;hydrochloride
CID 171246598
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
CID 171200839
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
ethyl (3S)-3-amino-2,2-difluoro-3-(4-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171247388
(3S)-3-amino-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171250430
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
CID 171178730

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride (CID 171312194) is 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride is CCOc1cc([C@@H](N)C(F)(F)C(F)(F)F)ccc1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is ALMOPCIAZOVBDA-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12F5NO2.ClH/c1-2-19-8-5-6(3-4-7(8)18)9(17)10(12,13)11(14,15)16;/h3-5,9,18H,2,17H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride?
4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 321.67 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171312194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).