1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one

C8H10F2N2O2 — CID 63344456

IUPAC1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESCCCc1noc(CC(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O2/c1-2-3-6-11-7(14-12-6)4-5(13)8(9)10/h8H,2-4H2,1H3
InChIKeyYCSDDEULNHHGRA-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.40
Rot. Bonds5

About 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one

1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one (PubChem CID 63344456) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one
PubChem CID63344456
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESCCCc1noc(CC(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O2/c1-2-3-6-11-7(14-12-6)4-5(13)8(9)10/h8H,2-4H2,1H3
InChIKeyYCSDDEULNHHGRA-UHFFFAOYSA-N
XLogP1.40
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one?
The IUPAC name of 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one (CID 63344456) is 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one?
The canonical SMILES for 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one is CCCc1noc(CC(=O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one?
The InChIKey is YCSDDEULNHHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-2-3-6-11-7(14-12-6)4-5(13)8(9)10/h8H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one?
1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one has a molecular weight of 204.18 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-one is sourced from PubChem (CID 63344456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).