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

C7H8F2N2O — CID 84766597

IUPAC1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2coc(C(F)F)n2)CC1
InChIInChI=1S/C7H8F2N2O/c8-5(9)6-11-4(3-12-6)7(10)1-2-7/h3,5H,1-2,10H2
InChIKeyKTMMIDIFEFIISM-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.56
Rot. Bonds2

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

1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine (PubChem CID 84766597) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
PubChem CID84766597
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2coc(C(F)F)n2)CC1
InChIInChI=1S/C7H8F2N2O/c8-5(9)6-11-4(3-12-6)7(10)1-2-7/h3,5H,1-2,10H2
InChIKeyKTMMIDIFEFIISM-UHFFFAOYSA-N
XLogP1.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine (CID 84766597) is 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine is NC1(c2coc(C(F)F)n2)CC1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
The InChIKey is KTMMIDIFEFIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-5(9)6-11-4(3-12-6)7(10)1-2-7/h3,5H,1-2,10H2.
What are the key properties of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine?
1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine has a molecular weight of 174.15 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84766597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).