4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol

C11H12BrF2NO — CID 117471497

IUPAC4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
SMILESNC1(c2c(F)cc(O)c(Br)c2F)CCCC1
InChIInChI=1S/C11H12BrF2NO/c12-9-7(16)5-6(13)8(10(9)14)11(15)3-1-2-4-11/h5,16H,1-4,15H2
InChIKeyVZCYXALDTPAGOM-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.16
Rot. Bonds1

About 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol

4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol (PubChem CID 117471497) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol.

Molecular Properties

Compound Name4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
PubChem CID117471497
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
SMILESNC1(c2c(F)cc(O)c(Br)c2F)CCCC1
InChIInChI=1S/C11H12BrF2NO/c12-9-7(16)5-6(13)8(10(9)14)11(15)3-1-2-4-11/h5,16H,1-4,15H2
InChIKeyVZCYXALDTPAGOM-UHFFFAOYSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
CID 117364421
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
CID 84814370
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine
CID 117112984
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol?
The IUPAC name of 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol (CID 117471497) is 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol.
What is the SMILES notation for 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol?
The canonical SMILES for 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol is NC1(c2c(F)cc(O)c(Br)c2F)CCCC1.
What is the InChIKey of 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol?
The InChIKey is VZCYXALDTPAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-9-7(16)5-6(13)8(10(9)14)11(15)3-1-2-4-11/h5,16H,1-4,15H2.
What are the key properties of 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol?
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol has a molecular weight of 292.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol is sourced from PubChem (CID 117471497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).