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

C10H11ClFNO — CID 117307321

IUPAC2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
SMILESNC1(c2cc(F)cc(Cl)c2O)CCC1
InChIInChI=1S/C10H11ClFNO/c11-8-5-6(12)4-7(9(8)14)10(13)2-1-3-10/h4-5,14H,1-3,13H2
InChIKeySBSZDYOPKRSZOE-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.52
Rot. Bonds1

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

2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol (PubChem CID 117307321) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
PubChem CID117307321
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
SMILESNC1(c2cc(F)cc(Cl)c2O)CCC1
InChIInChI=1S/C10H11ClFNO/c11-8-5-6(12)4-7(9(8)14)10(13)2-1-3-10/h4-5,14H,1-3,13H2
InChIKeySBSZDYOPKRSZOE-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.52
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-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
2-(1-aminocyclopentyl)-6-chloro-4-(trifluoromethyl)phenol
CID 117448623
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
CID 117479484
2-amino-6-chloro-4-fluorophenol
CID 11275173
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167
2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
CID 84776496

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol?
The IUPAC name of 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol (CID 117307321) is 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol is NC1(c2cc(F)cc(Cl)c2O)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol?
The InChIKey is SBSZDYOPKRSZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-8-5-6(12)4-7(9(8)14)10(13)2-1-3-10/h4-5,14H,1-3,13H2.
What are the key properties of 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol?
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol has a molecular weight of 215.66 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol is sourced from PubChem (CID 117307321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).