4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol

C10H12Br2FNO2 — CID 171235131

IUPAC4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
SMILESCOc1cc([C@@H](N)CCF)c(Br)c(Br)c1O
InChIInChI=1S/C10H12Br2FNO2/c1-16-7-4-5(6(14)2-3-13)8(11)9(12)10(7)15/h4,6,15H,2-3,14H2,1H3/t6-/m0/s1
InChIKeyWASIFGCHDCQOEM-LURJTMIESA-N
MW357.02 g/mol
LogP3.29
Rot. Bonds4

About 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol

4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol (PubChem CID 171235131) has the molecular formula C10H12Br2FNO2 and a molecular weight of 357.02 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
PubChem CID171235131
Molecular FormulaC10H12Br2FNO2
Molecular Weight357.02 g/mol
Exact Mass354.92
IUPAC Name4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
SMILESCOc1cc([C@@H](N)CCF)c(Br)c(Br)c1O
InChIInChI=1S/C10H12Br2FNO2/c1-16-7-4-5(6(14)2-3-13)8(11)9(12)10(7)15/h4,6,15H,2-3,14H2,1H3/t6-/m0/s1
InChIKeyWASIFGCHDCQOEM-LURJTMIESA-N
XLogP3.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.02
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol with MolForge

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Related Compounds

4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
CID 170874488
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,3-dibromo-6-methoxyphenol
CID 171235129
4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171313994
4-[(1S)-1-amino-3-methylbutyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235124
2-[(1R)-1-amino-3-fluoropropyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171212888
(3R)-3-amino-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)propanenitrile
CID 131471017
4-[(1S)-1-aminobut-3-enyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235118
4-[(1S)-1-amino-2-methylbutyl]-2,3-dibromo-6-methoxyphenol
CID 171235148
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171265810
4-bromo-2-[(1R)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171212863
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol?
The IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol (CID 171235131) is 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol.
What is the SMILES notation for 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol?
The canonical SMILES for 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol is COc1cc([C@@H](N)CCF)c(Br)c(Br)c1O.
What is the InChIKey of 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol?
The InChIKey is WASIFGCHDCQOEM-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Br2FNO2/c1-16-7-4-5(6(14)2-3-13)8(11)9(12)10(7)15/h4,6,15H,2-3,14H2,1H3/t6-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol?
4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol has a molecular weight of 357.02 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol is sourced from PubChem (CID 171235131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).