(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole

C9H14F3NO — CID 125489383

IUPAC(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NO[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-8(2,3)7-4-6(14-13-7)5-9(10,11)12/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyVPZQFDNMVSARIE-ZCFIWIBFSA-N
MW209.21 g/mol
LogP3.13
Rot. Bonds1

About (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole

(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 125489383) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
PubChem CID125489383
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NO[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-8(2,3)7-4-6(14-13-7)5-9(10,11)12/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyVPZQFDNMVSARIE-ZCFIWIBFSA-N
XLogP3.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (CID 125489383) is (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is CC(C)(C)C1=NO[C@@H](CC(F)(F)F)C1.
What is the InChIKey of (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is VPZQFDNMVSARIE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-8(2,3)7-4-6(14-13-7)5-9(10,11)12/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 209.21 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 125489383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).