1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine

C9H11F3N2O — CID 105475191

IUPAC1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2coc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-14-6(5-15-7)1-2-8(13)3-4-8/h5H,1-4,13H2
InChIKeyNGAYJEOSLITQGF-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine

1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine (PubChem CID 105475191) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine
PubChem CID105475191
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2coc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-14-6(5-15-7)1-2-8(13)3-4-8/h5H,1-4,13H2
InChIKeyNGAYJEOSLITQGF-UHFFFAOYSA-N
XLogP2.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine (CID 105475191) is 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine is NC1(CCc2coc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine?
The InChIKey is NGAYJEOSLITQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-14-6(5-15-7)1-2-8(13)3-4-8/h5H,1-4,13H2.
What are the key properties of 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine?
1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine has a molecular weight of 220.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105475191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).