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

C8H9F3N2O — CID 83861469

IUPAC[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
SMILESNCC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-6-4(3-12)1-2-5(6)14-13-7/h4H,1-3,12H2
InChIKeyHTMFELDRRXBTPN-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.68
Rot. Bonds1

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

[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine (PubChem CID 83861469) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
PubChem CID83861469
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
SMILESNCC1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-6-4(3-12)1-2-5(6)14-13-7/h4H,1-3,12H2
InChIKeyHTMFELDRRXBTPN-UHFFFAOYSA-N
XLogP1.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
CID 83861466
N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861468
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]ethanamine
CID 83861871
[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]methanamine
CID 83861873
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 [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine (CID 83861469) is [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine is NCC1CCc2onc(C(F)(F)F)c21.
What is the InChIKey of [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
The InChIKey is HTMFELDRRXBTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7-6-4(3-12)1-2-5(6)14-13-7/h4H,1-3,12H2.
What are the key properties of [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine?
[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine is sourced from PubChem (CID 83861469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).