4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole

C7H7F2NO — CID 57093117

IUPAC4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole
SMILESCc1nocc1C1CC1(F)F
InChIInChI=1S/C7H7F2NO/c1-4-5(3-11-10-4)6-2-7(6,8)9/h3,6H,2H2,1H3
InChIKeyJYELGPFQJVONBF-UHFFFAOYSA-N
MW159.13 g/mol
LogP2.11
Rot. Bonds1

About 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole

4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole (PubChem CID 57093117) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole
PubChem CID57093117
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole
SMILESCc1nocc1C1CC1(F)F
InChIInChI=1S/C7H7F2NO/c1-4-5(3-11-10-4)6-2-7(6,8)9/h3,6H,2H2,1H3
InChIKeyJYELGPFQJVONBF-UHFFFAOYSA-N
XLogP2.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole?
The IUPAC name of 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole (CID 57093117) is 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole is Cc1nocc1C1CC1(F)F.
What is the InChIKey of 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole?
The InChIKey is JYELGPFQJVONBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-4-5(3-11-10-4)6-2-7(6,8)9/h3,6H,2H2,1H3.
What are the key properties of 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole?
4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole has a molecular weight of 159.13 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 57093117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).