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

C9H10ClF4NO2 — CID 171253128

IUPAC6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
SMILESCl.N[C@H](c1ccc(F)c(F)c1O)C(F)(F)CO
InChIInChI=1S/C9H9F4NO2.ClH/c10-5-2-1-4(7(16)6(5)11)8(14)9(12,13)3-15;/h1-2,8,15-16H,3,14H2;1H/t8-;/m1./s1
InChIKeySLBNKUYFTHRDQM-DDWIOCJRSA-N
MW275.63 g/mol
LogP1.72
Rot. Bonds3

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

6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride (PubChem CID 171253128) has the molecular formula C9H10ClF4NO2 and a molecular weight of 275.63 g/mol. Its IUPAC name is 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
PubChem CID171253128
Molecular FormulaC9H10ClF4NO2
Molecular Weight275.63 g/mol
Exact Mass275.03
IUPAC Name6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
SMILESCl.N[C@H](c1ccc(F)c(F)c1O)C(F)(F)CO
InChIInChI=1S/C9H9F4NO2.ClH/c10-5-2-1-4(7(16)6(5)11)8(14)9(12,13)3-15;/h1-2,8,15-16H,3,14H2;1H/t8-;/m1./s1
InChIKeySLBNKUYFTHRDQM-DDWIOCJRSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.63
LogP ≤ 51.72
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

4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]benzene-1,2,3-triol
CID 131542064
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-fluorophenol
CID 131559931
(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131266456
(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171245024
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246509
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
CID 171241275
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propan-1-ol
CID 131503878
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methylphenol
CID 131543744
(3R)-3-amino-2,2-difluoro-3-(2,3,5-trifluorophenyl)propan-1-ol
CID 131611321
(3S)-3-amino-3-(3-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247629

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride?
The IUPAC name of 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride (CID 171253128) is 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride.
What is the SMILES notation for 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride?
The canonical SMILES for 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride is Cl.N[C@H](c1ccc(F)c(F)c1O)C(F)(F)CO.
What is the InChIKey of 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride?
The InChIKey is SLBNKUYFTHRDQM-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9F4NO2.ClH/c10-5-2-1-4(7(16)6(5)11)8(14)9(12,13)3-15;/h1-2,8,15-16H,3,14H2;1H/t8-;/m1./s1.
What are the key properties of 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride?
6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride has a molecular weight of 275.63 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride is sourced from PubChem (CID 171253128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).