5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol

C11H14FNO2 — CID 117301230

IUPAC5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
SMILESNC1(c2cc(O)c(O)c(F)c2)CCCC1
InChIInChI=1S/C11H14FNO2/c12-8-5-7(6-9(14)10(8)15)11(13)3-1-2-4-11/h5-6,14-15H,1-4,13H2
InChIKeyPFMFMZYOQYBVFW-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.96
Rot. Bonds1

About 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol

5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol (PubChem CID 117301230) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
PubChem CID117301230
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
SMILESNC1(c2cc(O)c(O)c(F)c2)CCCC1
InChIInChI=1S/C11H14FNO2/c12-8-5-7(6-9(14)10(8)15)11(13)3-1-2-4-11/h5-6,14-15H,1-4,13H2
InChIKeyPFMFMZYOQYBVFW-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
4-(1-aminocyclohexyl)-2,6-difluorobenzoic acid
CID 117390717
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline
CID 117112812
2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
CID 117364421
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol
CID 117316467
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol?
The IUPAC name of 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol (CID 117301230) is 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol.
What is the SMILES notation for 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol?
The canonical SMILES for 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol is NC1(c2cc(O)c(O)c(F)c2)CCCC1.
What is the InChIKey of 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol?
The InChIKey is PFMFMZYOQYBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-8-5-7(6-9(14)10(8)15)11(13)3-1-2-4-11/h5-6,14-15H,1-4,13H2.
What are the key properties of 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol?
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol has a molecular weight of 211.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol is sourced from PubChem (CID 117301230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).