carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C7H8F3NO3 — CID 158570874

IUPACcarbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(C(F)(F)F)C1.O=C=O
InChIInChI=1S/C6H8F3NO.CO2/c1-2-4-3-5(11-10-4)6(7,8)9;2-1-3/h5H,2-3H2,1H3;
InChIKeyHSBGIYZSLIVBDY-UHFFFAOYSA-N
MW211.14 g/mol
LogP1.52
Rot. Bonds1

About carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 158570874) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Namecarbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID158570874
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Namecarbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(C(F)(F)F)C1.O=C=O
InChIInChI=1S/C6H8F3NO.CO2/c1-2-4-3-5(11-10-4)6(7,8)9;2-1-3/h5H,2-3H2,1H3;
InChIKeyHSBGIYZSLIVBDY-UHFFFAOYSA-N
XLogP1.52
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(fluoromethyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 124638222
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 14143956
(1R)-1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 15122206
(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole
CID 95242258
1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 51698766
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 98324504
3-(4-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 150023445
(5S)-3-ethyl-5-[[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 124755119
4-(trifluoromethyl)oxetan-2-one
CID 54520542
3-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 91787691
4-ethyl-2-[tris(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
CID 58890537
(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 99864946

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 158570874) is carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is CCC1=NOC(C(F)(F)F)C1.O=C=O.
What is the InChIKey of carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is HSBGIYZSLIVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.CO2/c1-2-4-3-5(11-10-4)6(7,8)9;2-1-3/h5H,2-3H2,1H3;.
What are the key properties of carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 211.14 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 158570874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).