2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride

C8H8Cl2F3NO — CID 171255857

IUPAC2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
SMILESCl.N[C@H](c1c(F)ccc(Cl)c1O)C(F)F
InChIInChI=1S/C8H7ClF3NO.ClH/c9-3-1-2-4(10)5(7(3)14)6(13)8(11)12;/h1-2,6,8,14H,13H2;1H/t6-;/m1./s1
InChIKeySKGOJNDCEBXRKE-FYZOBXCZSA-N
MW262.06 g/mol
LogP2.87
Rot. Bonds2

About 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride

2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride (PubChem CID 171255857) has the molecular formula C8H8Cl2F3NO and a molecular weight of 262.06 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
PubChem CID171255857
Molecular FormulaC8H8Cl2F3NO
Molecular Weight262.06 g/mol
Exact Mass260.99
IUPAC Name2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
SMILESCl.N[C@H](c1c(F)ccc(Cl)c1O)C(F)F
InChIInChI=1S/C8H7ClF3NO.ClH/c9-3-1-2-4(10)5(7(3)14)6(13)8(11)12;/h1-2,6,8,14H,13H2;1H/t6-;/m1./s1
InChIKeySKGOJNDCEBXRKE-FYZOBXCZSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255856
(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2-difluoroethanamine
CID 130607724
2-[(1R)-1-amino-2,2-difluoroethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253959
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
CID 130748681
2-[(1S)-1-amino-2,2-difluoroethyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258754
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171259217
6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
CID 130812665
2-[(1R)-1-amino-2,2-difluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253538
2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
ethyl (3R)-3-amino-3-(3-chloro-6-fluoro-2-hydroxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171255855
(1R)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethanamine;hydrochloride
CID 171243894
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2,2-difluoroethanamine
CID 130707442

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride (CID 171255857) is 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride is Cl.N[C@H](c1c(F)ccc(Cl)c1O)C(F)F.
What is the InChIKey of 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride?
The InChIKey is SKGOJNDCEBXRKE-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H7ClF3NO.ClH/c9-3-1-2-4(10)5(7(3)14)6(13)8(11)12;/h1-2,6,8,14H,13H2;1H/t6-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride?
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride has a molecular weight of 262.06 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171255857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).