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

C7H7F3N2O — CID 84772205

IUPAC1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2coc(C(F)(F)F)n2)CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-12-4(3-13-5)6(11)1-2-6/h3H,1-2,11H2
InChIKeyAOIJDAVYJZTXIN-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.64
Rot. Bonds1

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

1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine (PubChem CID 84772205) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
PubChem CID84772205
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2coc(C(F)(F)F)n2)CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-12-4(3-13-5)6(11)1-2-6/h3H,1-2,11H2
InChIKeyAOIJDAVYJZTXIN-UHFFFAOYSA-N
XLogP1.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine (CID 84772205) is 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine is NC1(c2coc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The InChIKey is AOIJDAVYJZTXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-12-4(3-13-5)6(11)1-2-6/h3H,1-2,11H2.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine has a molecular weight of 192.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84772205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).