4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride

C10H12Br2ClF2NO2 — CID 171313994

IUPAC4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)CC(F)F)c(Br)c(Br)c1O.Cl
InChIInChI=1S/C10H11Br2F2NO2.ClH/c1-17-6-2-4(5(15)3-7(13)14)8(11)9(12)10(6)16;/h2,5,7,16H,3,15H2,1H3;1H/t5-;/m1./s1
InChIKeyYSTWQBRRIMPWPT-NUBCRITNSA-N
MW411.47 g/mol
LogP4.00
Rot. Bonds4

About 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride

4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride (PubChem CID 171313994) has the molecular formula C10H12Br2ClF2NO2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
PubChem CID171313994
Molecular FormulaC10H12Br2ClF2NO2
Molecular Weight411.47 g/mol
Exact Mass408.89
IUPAC Name4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@H](N)CC(F)F)c(Br)c(Br)c1O.Cl
InChIInChI=1S/C10H11Br2F2NO2.ClH/c1-17-6-2-4(5(15)3-7(13)14)8(11)9(12)10(6)16;/h2,5,7,16H,3,15H2,1H3;1H/t5-;/m1./s1
InChIKeyYSTWQBRRIMPWPT-NUBCRITNSA-N
XLogP4.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-3-methylbutyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235124
4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
CID 171235131
4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
CID 170874488
4-[(1S)-1-aminobut-3-enyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235118
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,3-dibromo-6-methoxyphenol
CID 171235129
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171265810
(3R)-3-amino-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)propanenitrile
CID 131471017
4-[(1S)-1-amino-2-methylbutyl]-2,3-dibromo-6-methoxyphenol
CID 171235148
4-[(1S)-1-amino-3,3-difluoropropyl]-2,6-dimethoxyphenol
CID 171312856
(1S)-1-(5-bromo-2-methoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312925
2,3-dibromo-4-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]-6-methoxyphenol
CID 171177971
4-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2,3-dibromo-6-methoxyphenol
CID 171265815

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride (CID 171313994) is 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride is COc1cc([C@H](N)CC(F)F)c(Br)c(Br)c1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The InChIKey is YSTWQBRRIMPWPT-NUBCRITNSA-N. The full InChI is InChI=1S/C10H11Br2F2NO2.ClH/c1-17-6-2-4(5(15)3-7(13)14)8(11)9(12)10(6)16;/h2,5,7,16H,3,15H2,1H3;1H/t5-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride has a molecular weight of 411.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171313994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).