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

C10H13BrFNO2 — CID 84811290

IUPAC4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
SMILESCC(CCN)c1cc(F)c(O)c(Br)c1O
InChIInChI=1S/C10H13BrFNO2/c1-5(2-3-13)6-4-7(12)10(15)8(11)9(6)14/h4-5,14-15H,2-3,13H2,1H3
InChIKeyAQJCIRBMOPWQAU-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.45
Rot. Bonds3

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

4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol (PubChem CID 84811290) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
PubChem CID84811290
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
SMILESCC(CCN)c1cc(F)c(O)c(Br)c1O
InChIInChI=1S/C10H13BrFNO2/c1-5(2-3-13)6-4-7(12)10(15)8(11)9(6)14/h4-5,14-15H,2-3,13H2,1H3
InChIKeyAQJCIRBMOPWQAU-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84811488
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
4-(4-aminobutan-2-yl)-3-bromophenol
CID 82622374
3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
CID 84810957
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol?
The IUPAC name of 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol (CID 84811290) is 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol is CC(CCN)c1cc(F)c(O)c(Br)c1O.
What is the InChIKey of 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol?
The InChIKey is AQJCIRBMOPWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-5(2-3-13)6-4-7(12)10(15)8(11)9(6)14/h4-5,14-15H,2-3,13H2,1H3.
What are the key properties of 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol?
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol has a molecular weight of 278.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol is sourced from PubChem (CID 84811290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).