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

C10H13ClF3NO2 — CID 171202696

IUPAC2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
SMILESCOc1ccc(O)c([C@H](N)CC(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-6-2-3-9(15)7(4-6)8(14)5-10(11,12)13;/h2-4,8,15H,5,14H2,1H3;1H/t8-;/m1./s1
InChIKeyZZYCJTDPRRSYDS-DDWIOCJRSA-N
MW271.67 g/mol
LogP2.77
Rot. Bonds3

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

2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride (PubChem CID 171202696) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
PubChem CID171202696
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
SMILESCOc1ccc(O)c([C@H](N)CC(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-6-2-3-9(15)7(4-6)8(14)5-10(11,12)13;/h2-4,8,15H,5,14H2,1H3;1H/t8-;/m1./s1
InChIKeyZZYCJTDPRRSYDS-DDWIOCJRSA-N
XLogP2.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1R)-1-amino-3,3,3-trifluoropropyl]benzene-1,4-diol
CID 131515495
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-methoxyphenol;hydrochloride
CID 171222270
2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-5-methoxyphenol
CID 171200659

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride (CID 171202696) is 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride is COc1ccc(O)c([C@H](N)CC(F)(F)F)c1.Cl.
What is the InChIKey of 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride?
The InChIKey is ZZYCJTDPRRSYDS-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H12F3NO2.ClH/c1-16-6-2-3-9(15)7(4-6)8(14)5-10(11,12)13;/h2-4,8,15H,5,14H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride?
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride has a molecular weight of 271.67 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride is sourced from PubChem (CID 171202696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).