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

C10H11ClF5NO2 — CID 171312191

IUPAC4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C10H10F5NO2.ClH/c1-18-7-4-5(17)2-3-6(7)8(16)9(11,12)10(13,14)15;/h2-4,8,17H,16H2,1H3;1H/t8-;/m1./s1
InChIKeyYYEWZDOFSNBDML-DDWIOCJRSA-N
MW307.65 g/mol
LogP3.02
Rot. Bonds3

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

4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride (PubChem CID 171312191) has the molecular formula C10H11ClF5NO2 and a molecular weight of 307.65 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
PubChem CID171312191
Molecular FormulaC10H11ClF5NO2
Molecular Weight307.65 g/mol
Exact Mass307.04
IUPAC Name4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C10H10F5NO2.ClH/c1-18-7-4-5(17)2-3-6(7)8(16)9(11,12)10(13,14)15;/h2-4,8,17H,16H2,1H3;1H/t8-;/m1./s1
InChIKeyYYEWZDOFSNBDML-DDWIOCJRSA-N
XLogP3.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 53.02
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]-3-methoxyphenol;hydrochloride
CID 171246564
(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 171312588
ethyl (3S)-3-amino-2,2-difluoro-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171246553
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311975
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312687
2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 62867617
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 171312665
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-5-methylphenol;hydrochloride
CID 171312610
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 65439545
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3,5-dimethoxyphenol
CID 171312435
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312678

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride (CID 171312191) is 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@@H](N)C(F)(F)C(F)(F)F.Cl.
What is the InChIKey of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride?
The InChIKey is YYEWZDOFSNBDML-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F5NO2.ClH/c1-18-7-4-5(17)2-3-6(7)8(16)9(11,12)10(13,14)15;/h2-4,8,17H,16H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride?
4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride has a molecular weight of 307.65 g/mol, XLogP of 3.02, 3 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]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171312191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).