2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol

C11H12F3NO — CID 117333734

IUPAC2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
SMILESNC1(c2cc(C(F)(F)F)ccc2O)CCC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-2-3-9(16)8(6-7)10(15)4-1-5-10/h2-3,6,16H,1,4-5,15H2
InChIKeyRTGYVUSRKCLXAG-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.75
Rot. Bonds1

About 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol

2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol (PubChem CID 117333734) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
PubChem CID117333734
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
SMILESNC1(c2cc(C(F)(F)F)ccc2O)CCC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)7-2-3-9(16)8(6-7)10(15)4-1-5-10/h2-3,6,16H,1,4-5,15H2
InChIKeyRTGYVUSRKCLXAG-UHFFFAOYSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol (CID 117333734) is 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol is NC1(c2cc(C(F)(F)F)ccc2O)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol?
The InChIKey is RTGYVUSRKCLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)7-2-3-9(16)8(6-7)10(15)4-1-5-10/h2-3,6,16H,1,4-5,15H2.
What are the key properties of 2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol?
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol has a molecular weight of 231.22 g/mol, XLogP of 2.75, 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-(trifluoromethyl)phenol is sourced from PubChem (CID 117333734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).