4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol

C9H11BrFNO2 — CID 84807304

IUPAC4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
SMILESCC(CN)c1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C9H11BrFNO2/c1-4(3-12)5-2-6(10)9(14)7(11)8(5)13/h2,4,13-14H,3,12H2,1H3
InChIKeyFIHLOKBQXAFYNO-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.06
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol

4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol (PubChem CID 84807304) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
PubChem CID84807304
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
SMILESCC(CN)c1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C9H11BrFNO2/c1-4(3-12)5-2-6(10)9(14)7(11)8(5)13/h2,4,13-14H,3,12H2,1H3
InChIKeyFIHLOKBQXAFYNO-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84811684
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
3-amino-2-(5-bromo-3-fluoro-4-hydroxy-2-methoxyphenyl)propanoic acid
CID 117492875
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-(1-amino-3-methylbutan-2-yl)-6-bromo-4-fluorophenol
CID 83904397
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
CID 117441898
2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117359962

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol?
The IUPAC name of 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol (CID 84807304) is 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol is CC(CN)c1cc(Br)c(O)c(F)c1O.
What is the InChIKey of 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol?
The InChIKey is FIHLOKBQXAFYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-4(3-12)5-2-6(10)9(14)7(11)8(5)13/h2,4,13-14H,3,12H2,1H3.
What are the key properties of 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol?
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol has a molecular weight of 264.09 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 84807304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).