3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine

C10H10F3NO2 — CID 112707082

IUPAC3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
SMILESNC1(c2cccc(OC(F)(F)F)c2)COC1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)16-8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2
InChIKeyPINMWAIWVRLDRW-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.77
Rot. Bonds2

About 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine

3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine (PubChem CID 112707082) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
PubChem CID112707082
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
SMILESNC1(c2cccc(OC(F)(F)F)c2)COC1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)16-8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2
InChIKeyPINMWAIWVRLDRW-UHFFFAOYSA-N
XLogP1.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
CID 134828084
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963403
(4-aminooxan-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116604699
3-phenyloxetan-3-amine;hydrochloride
CID 53256980
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
amino-[3-(trifluoromethoxy)phenyl]azanide
CID 163702737
(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 87200282

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine (CID 112707082) is 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine is NC1(c2cccc(OC(F)(F)F)c2)COC1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine?
The InChIKey is PINMWAIWVRLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)16-8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2.
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine?
3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine has a molecular weight of 233.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine is sourced from PubChem (CID 112707082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).