2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol

C10H11BrFNO — CID 117403842

IUPAC2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
SMILESNC1(c2cc(Br)cc(F)c2O)CCC1
InChIInChI=1S/C10H11BrFNO/c11-6-4-7(9(14)8(12)5-6)10(13)2-1-3-10/h4-5,14H,1-3,13H2
InChIKeyBDXAKIBHMKQOIT-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.63
Rot. Bonds1

About 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol

2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol (PubChem CID 117403842) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
PubChem CID117403842
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
SMILESNC1(c2cc(Br)cc(F)c2O)CCC1
InChIInChI=1S/C10H11BrFNO/c11-6-4-7(9(14)8(12)5-6)10(13)2-1-3-10/h4-5,14H,1-3,13H2
InChIKeyBDXAKIBHMKQOIT-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
2-(1-aminocyclobutyl)-6-bromo-4-(trifluoromethyl)phenol
CID 117494660
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
7-(1-aminocyclobutyl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117350341
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol?
The IUPAC name of 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol (CID 117403842) is 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol is NC1(c2cc(Br)cc(F)c2O)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol?
The InChIKey is BDXAKIBHMKQOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-6-4-7(9(14)8(12)5-6)10(13)2-1-3-10/h4-5,14H,1-3,13H2.
What are the key properties of 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol?
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol has a molecular weight of 260.11 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol is sourced from PubChem (CID 117403842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).