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

C8H10F2N2O — CID 84770654

IUPAC1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESCC(F)(F)c1nc(C2(N)CC2)co1
InChIInChI=1S/C8H10F2N2O/c1-7(9,10)6-12-5(4-13-6)8(11)2-3-8/h4H,2-3,11H2,1H3
InChIKeyVFXDKXRZSQCAOP-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.73
Rot. Bonds2

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

1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine (PubChem CID 84770654) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
PubChem CID84770654
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESCC(F)(F)c1nc(C2(N)CC2)co1
InChIInChI=1S/C8H10F2N2O/c1-7(9,10)6-12-5(4-13-6)8(11)2-3-8/h4H,2-3,11H2,1H3
InChIKeyVFXDKXRZSQCAOP-UHFFFAOYSA-N
XLogP1.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine (CID 84770654) is 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine is CC(F)(F)c1nc(C2(N)CC2)co1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The InChIKey is VFXDKXRZSQCAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-7(9,10)6-12-5(4-13-6)8(11)2-3-8/h4H,2-3,11H2,1H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine has a molecular weight of 188.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84770654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).