ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole

C9H14F3NO — CID 165139434

IUPACethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC.CCCc1nc(C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO.C2H6/c1-2-3-6-11-5(4-12-6)7(8,9)10;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyFLMRYCMUAVWMGM-UHFFFAOYSA-N
MW209.21 g/mol
LogP3.67
Rot. Bonds2

About ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole

ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 165139434) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID165139434
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Nameethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC.CCCc1nc(C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO.C2H6/c1-2-3-6-11-5(4-12-6)7(8,9)10;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyFLMRYCMUAVWMGM-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole (CID 165139434) is ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole is CC.CCCc1nc(C(F)(F)F)co1.
What is the InChIKey of ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is FLMRYCMUAVWMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO.C2H6/c1-2-3-6-11-5(4-12-6)7(8,9)10;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole?
ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 209.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 165139434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).