3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole

C11H14F3NO — CID 175325188

IUPAC3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole
SMILESCCCCCC(=Cc1ccon1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-2-3-4-5-9(11(12,13)14)8-10-6-7-16-15-10/h6-8H,2-5H2,1H3
InChIKeyTXTYXQAMHSIKOI-UHFFFAOYSA-N
MW233.23 g/mol
LogP4.20
Rot. Bonds5

About 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole

3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole (PubChem CID 175325188) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole
PubChem CID175325188
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole
SMILESCCCCCC(=Cc1ccon1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-2-3-4-5-9(11(12,13)14)8-10-6-7-16-15-10/h6-8H,2-5H2,1H3
InChIKeyTXTYXQAMHSIKOI-UHFFFAOYSA-N
XLogP4.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole?
The IUPAC name of 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole (CID 175325188) is 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole is CCCCCC(=Cc1ccon1)C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole?
The InChIKey is TXTYXQAMHSIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-3-4-5-9(11(12,13)14)8-10-6-7-16-15-10/h6-8H,2-5H2,1H3.
What are the key properties of 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole?
3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole has a molecular weight of 233.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)hept-1-enyl]-1,2-oxazole is sourced from PubChem (CID 175325188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).