4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole

C8H11F2NO — CID 169163576

IUPAC4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1C(C)(F)F
InChIInChI=1S/C8H11F2NO/c1-5(2)6-7(8(3,9)10)11-4-12-6/h4-5H,1-3H3
InChIKeyVPHZVNGPFYVPAN-UHFFFAOYSA-N
MW175.18 g/mol
LogP2.91
Rot. Bonds2

About 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole

4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 169163576) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID169163576
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1C(C)(F)F
InChIInChI=1S/C8H11F2NO/c1-5(2)6-7(8(3,9)10)11-4-12-6/h4-5H,1-3H3
InChIKeyVPHZVNGPFYVPAN-UHFFFAOYSA-N
XLogP2.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole (CID 169163576) is 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1C(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is VPHZVNGPFYVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-5(2)6-7(8(3,9)10)11-4-12-6/h4-5H,1-3H3.
What are the key properties of 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole?
4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 175.18 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169163576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).