3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol

C9H8Br3F2NO2 — CID 171251836

IUPAC3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
SMILESN[C@@H](c1c(Br)cc(Br)c(O)c1Br)C(F)(F)CO
InChIInChI=1S/C9H8Br3F2NO2/c10-3-1-4(11)7(17)6(12)5(3)8(15)9(13,14)2-16/h1,8,16-17H,2,15H2/t8-/m0/s1
InChIKeyLZMKQPZDYJFEHJ-QMMMGPOBSA-N
MW439.88 g/mol
LogP3.31
Rot. Bonds3

About 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol

3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol (PubChem CID 171251836) has the molecular formula C9H8Br3F2NO2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
PubChem CID171251836
Molecular FormulaC9H8Br3F2NO2
Molecular Weight439.88 g/mol
Exact Mass436.81
IUPAC Name3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
SMILESN[C@@H](c1c(Br)cc(Br)c(O)c1Br)C(F)(F)CO
InChIInChI=1S/C9H8Br3F2NO2/c10-3-1-4(11)7(17)6(12)5(3)8(15)9(13,14)2-16/h1,8,16-17H,2,15H2/t8-/m0/s1
InChIKeyLZMKQPZDYJFEHJ-QMMMGPOBSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-bromo-6-chlorophenol
CID 131491160
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
CID 131325612
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171254342
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
(3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131392243
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
3-[(1S)-1-aminobutyl]-2,4,6-tribromophenol
CID 131342741
2,4,6-tribromo-3-[(1S)-1,4-diaminobutyl]phenol
CID 171236028
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromo-6-fluorophenol
CID 131342980

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol?
The IUPAC name of 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol (CID 171251836) is 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol.
What is the SMILES notation for 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol?
The canonical SMILES for 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol is N[C@@H](c1c(Br)cc(Br)c(O)c1Br)C(F)(F)CO.
What is the InChIKey of 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol?
The InChIKey is LZMKQPZDYJFEHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8Br3F2NO2/c10-3-1-4(11)7(17)6(12)5(3)8(15)9(13,14)2-16/h1,8,16-17H,2,15H2/t8-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol?
3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol has a molecular weight of 439.88 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol is sourced from PubChem (CID 171251836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).