3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride

C8H7Br3ClF2NO — CID 171245096

IUPAC3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
SMILESCl.N[C@H](c1c(Br)cc(Br)c(O)c1Br)C(F)F
InChIInChI=1S/C8H6Br3F2NO.ClH/c9-2-1-3(10)7(15)5(11)4(2)6(14)8(12)13;/h1,6,8,15H,14H2;1H/t6-;/m1./s1
InChIKeyRUVILDBNJXOHJN-FYZOBXCZSA-N
MW446.31 g/mol
LogP4.37
Rot. Bonds2

About 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride

3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride (PubChem CID 171245096) has the molecular formula C8H7Br3ClF2NO and a molecular weight of 446.31 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
PubChem CID171245096
Molecular FormulaC8H7Br3ClF2NO
Molecular Weight446.31 g/mol
Exact Mass442.77
IUPAC Name3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
SMILESCl.N[C@H](c1c(Br)cc(Br)c(O)c1Br)C(F)F
InChIInChI=1S/C8H6Br3F2NO.ClH/c9-2-1-3(10)7(15)5(11)4(2)6(14)8(12)13;/h1,6,8,15H,14H2;1H/t6-;/m1./s1
InChIKeyRUVILDBNJXOHJN-FYZOBXCZSA-N
XLogP4.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171236025
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
CID 131325612
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol;hydrochloride
CID 171266181
3-[(1R)-1-aminoprop-2-enyl]-2,4,6-tribromophenol;hydrochloride
CID 171216400
3-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,4,6-tribromophenol;hydrochloride
CID 171271845
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
CID 171266180
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526
3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
CID 171251836
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
2,4,6-tribromo-3-[(1S)-1,4-diaminobutyl]phenol
CID 171236028

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride (CID 171245096) is 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride is Cl.N[C@H](c1c(Br)cc(Br)c(O)c1Br)C(F)F.
What is the InChIKey of 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride?
The InChIKey is RUVILDBNJXOHJN-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H6Br3F2NO.ClH/c9-2-1-3(10)7(15)5(11)4(2)6(14)8(12)13;/h1,6,8,15H,14H2;1H/t6-;/m1./s1.
What are the key properties of 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride?
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride has a molecular weight of 446.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride is sourced from PubChem (CID 171245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).