3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine

C10H10F3NO — CID 153355495

IUPAC3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C10H10F3NO/c11-7-1-2-8(10(13)9(7)12)15-6-3-5(14)4-6/h1-2,5-6H,3-4,14H2
InChIKeyWRZQYOOFKZFYRU-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.97
Rot. Bonds2

About 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine

3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine (PubChem CID 153355495) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine
PubChem CID153355495
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C10H10F3NO/c11-7-1-2-8(10(13)9(7)12)15-6-3-5(14)4-6/h1-2,5-6H,3-4,14H2
InChIKeyWRZQYOOFKZFYRU-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine (CID 153355495) is 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine is NC1CC(Oc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine?
The InChIKey is WRZQYOOFKZFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-7-1-2-8(10(13)9(7)12)15-6-3-5(14)4-6/h1-2,5-6H,3-4,14H2.
What are the key properties of 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine?
3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine has a molecular weight of 217.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 153355495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).