(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

C4H4F3NO — CID 151959941

IUPAC(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)[C@H]1COC=N1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3-1-9-2-8-3/h2-3H,1H2/t3-/m1/s1
InChIKeyTYKZMHXBVQNBHE-GSVOUGTGSA-N
MW139.08 g/mol
LogP0.98
Rot. Bonds

About (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 151959941) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID151959941
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)[C@H]1COC=N1
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3-1-9-2-8-3/h2-3H,1H2/t3-/m1/s1
InChIKeyTYKZMHXBVQNBHE-GSVOUGTGSA-N
XLogP0.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (CID 151959941) is (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is FC(F)(F)[C@H]1COC=N1.
What is the InChIKey of (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is TYKZMHXBVQNBHE-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)3-1-9-2-8-3/h2-3H,1H2/t3-/m1/s1.
What are the key properties of (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 139.08 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 151959941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).