3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol

C9H8Br3F2NO — CID 131325612

IUPAC3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
SMILESN[C@H](CC(F)F)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C9H8Br3F2NO/c10-3-1-4(11)9(16)8(12)7(3)5(15)2-6(13)14/h1,5-6,16H,2,15H2/t5-/m1/s1
InChIKeyBGWFAOMRUIZLEQ-RXMQYKEDSA-N
MW423.88 g/mol
LogP4.33
Rot. Bonds3

About 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol

3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol (PubChem CID 131325612) has the molecular formula C9H8Br3F2NO and a molecular weight of 423.88 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
PubChem CID131325612
Molecular FormulaC9H8Br3F2NO
Molecular Weight423.88 g/mol
Exact Mass420.81
IUPAC Name3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
SMILESN[C@H](CC(F)F)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C9H8Br3F2NO/c10-3-1-4(11)9(16)8(12)7(3)5(15)2-6(13)14/h1,5-6,16H,2,15H2/t5-/m1/s1
InChIKeyBGWFAOMRUIZLEQ-RXMQYKEDSA-N
XLogP4.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171236025
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
2,4,6-tribromo-3-[(1S)-1,4-diaminobutyl]phenol
CID 171236028
3-[(1S)-1-aminobutyl]-2,4,6-tribromophenol
CID 131342741
2,4,6-tribromo-3-[(1R)-1,5-diaminopentyl]phenol
CID 171216396
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
CID 171251836
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
methyl (3S)-3-amino-3-(2,4,6-tribromo-3-hydroxyphenyl)propanoate;hydrochloride
CID 171245090
3-[(1R)-1-aminoprop-2-enyl]-2,4,6-tribromophenol;hydrochloride
CID 171216400
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
CID 171266180

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol?
The IUPAC name of 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol (CID 131325612) is 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol.
What is the SMILES notation for 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol?
The canonical SMILES for 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol is N[C@H](CC(F)F)c1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol?
The InChIKey is BGWFAOMRUIZLEQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8Br3F2NO/c10-3-1-4(11)9(16)8(12)7(3)5(15)2-6(13)14/h1,5-6,16H,2,15H2/t5-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol?
3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol has a molecular weight of 423.88 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol is sourced from PubChem (CID 131325612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).