3-(3-fluorophenyl)oxetan-3-amine

C9H10FNO — CID 53256985

IUPAC3-(3-fluorophenyl)oxetan-3-amine
SMILESNC1(c2cccc(F)c2)COC1
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-7(4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
InChIKeyPSDJGNPRMMIFOB-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.01
Rot. Bonds1

About 3-(3-fluorophenyl)oxetan-3-amine

3-(3-fluorophenyl)oxetan-3-amine (PubChem CID 53256985) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(3-fluorophenyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)oxetan-3-amine
PubChem CID53256985
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(3-fluorophenyl)oxetan-3-amine
SMILESNC1(c2cccc(F)c2)COC1
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-7(4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
InChIKeyPSDJGNPRMMIFOB-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)oxetan-3-amine?
The IUPAC name of 3-(3-fluorophenyl)oxetan-3-amine (CID 53256985) is 3-(3-fluorophenyl)oxetan-3-amine.
What is the SMILES notation for 3-(3-fluorophenyl)oxetan-3-amine?
The canonical SMILES for 3-(3-fluorophenyl)oxetan-3-amine is NC1(c2cccc(F)c2)COC1.
What is the InChIKey of 3-(3-fluorophenyl)oxetan-3-amine?
The InChIKey is PSDJGNPRMMIFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-1-2-7(4-8)9(11)5-12-6-9/h1-4H,5-6,11H2.
What are the key properties of 3-(3-fluorophenyl)oxetan-3-amine?
3-(3-fluorophenyl)oxetan-3-amine has a molecular weight of 167.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)oxetan-3-amine is sourced from PubChem (CID 53256985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).