2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol

C11H13BrFNO — CID 84810334

IUPAC2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
SMILESNC1(c2c(O)ccc(Br)c2F)CCCC1
InChIInChI=1S/C11H13BrFNO/c12-7-3-4-8(15)9(10(7)13)11(14)5-1-2-6-11/h3-4,15H,1-2,5-6,14H2
InChIKeyWOVCBPIKAZSAOV-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.02
Rot. Bonds1

About 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol

2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol (PubChem CID 84810334) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
PubChem CID84810334
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
SMILESNC1(c2c(O)ccc(Br)c2F)CCCC1
InChIInChI=1S/C11H13BrFNO/c12-7-3-4-8(15)9(10(7)13)11(14)5-1-2-6-11/h3-4,15H,1-2,5-6,14H2
InChIKeyWOVCBPIKAZSAOV-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.02
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

1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
2-(1-aminocyclopropyl)-3,4-difluorophenol
CID 84769570
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
CID 117481901
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
CID 84801516
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol?
The IUPAC name of 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol (CID 84810334) is 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol is NC1(c2c(O)ccc(Br)c2F)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol?
The InChIKey is WOVCBPIKAZSAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-7-3-4-8(15)9(10(7)13)11(14)5-1-2-6-11/h3-4,15H,1-2,5-6,14H2.
What are the key properties of 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol?
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol has a molecular weight of 274.13 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol is sourced from PubChem (CID 84810334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).