2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine

C9H11F3N2O — CID 83861466

IUPAC2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
SMILESNCCC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-7-5(3-4-13)1-2-6(7)15-14-8/h5H,1-4,13H2
InChIKeyKYXVPZBJYIAIRX-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.07
Rot. Bonds2

About 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine

2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine (PubChem CID 83861466) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
PubChem CID83861466
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
SMILESNCCC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-7-5(3-4-13)1-2-6(7)15-14-8/h5H,1-4,13H2
InChIKeyKYXVPZBJYIAIRX-UHFFFAOYSA-N
XLogP2.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861464
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861465
N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861468
[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861469
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]ethanamine
CID 83861871
3-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 84030229
(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430458
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430459
(4-Fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105434424
(6,6-Difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105435720
(4,4-Difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105435723

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine (CID 83861466) is 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine is NCCC1CCc2onc(C(F)(F)F)c21.
What is the InChIKey of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine?
The InChIKey is KYXVPZBJYIAIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-7-5(3-4-13)1-2-6(7)15-14-8/h5H,1-4,13H2.
What are the key properties of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine?
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine has a molecular weight of 220.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine is sourced from PubChem (CID 83861466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).