2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride

C9H11Cl2F2NO2 — CID 171241275

IUPAC2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@H](c1cccc(Cl)c1O)C(F)(F)CO
InChIInChI=1S/C9H10ClF2NO2.ClH/c10-6-3-1-2-5(7(6)15)8(13)9(11,12)4-14;/h1-3,8,14-15H,4,13H2;1H/t8-;/m1./s1
InChIKeyIOLPUYQVEIYPKQ-DDWIOCJRSA-N
MW274.09 g/mol
LogP2.09
Rot. Bonds3

About 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride

2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride (PubChem CID 171241275) has the molecular formula C9H11Cl2F2NO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
PubChem CID171241275
Molecular FormulaC9H11Cl2F2NO2
Molecular Weight274.09 g/mol
Exact Mass273.01
IUPAC Name2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@H](c1cccc(Cl)c1O)C(F)(F)CO
InChIInChI=1S/C9H10ClF2NO2.ClH/c10-6-3-1-2-5(7(6)15)8(13)9(11,12)4-14;/h1-3,8,14-15H,4,13H2;1H/t8-;/m1./s1
InChIKeyIOLPUYQVEIYPKQ-DDWIOCJRSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-chlorophenol;hydrochloride
CID 171312352
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methylphenol
CID 131543744
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4,6-dichlorophenol;hydrochloride
CID 171238704
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246333
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]benzene-1,2,3-triol
CID 131542064
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-6-chlorophenol
CID 171204748
6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
CID 171253128
(3S)-3-amino-3-(3-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247629
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-bromo-6-chlorophenol
CID 131491160
(3S)-3-amino-3-(2-chloro-4-fluorophenyl)-2,2-difluoropropan-1-ol
CID 131260028
2-[(1S)-1-amino-3-fluoropropyl]-6-chlorophenol
CID 131335401

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride (CID 171241275) is 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride is Cl.N[C@H](c1cccc(Cl)c1O)C(F)(F)CO.
What is the InChIKey of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride?
The InChIKey is IOLPUYQVEIYPKQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10ClF2NO2.ClH/c10-6-3-1-2-5(7(6)15)8(13)9(11,12)4-14;/h1-3,8,14-15H,4,13H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride?
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride has a molecular weight of 274.09 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride is sourced from PubChem (CID 171241275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).