2-(12,12,12-trifluorododec-10-enyl)oxirane

C14H23F3O — CID 150671006

IUPAC2-(12,12,12-trifluorododec-10-enyl)oxirane
SMILESFC(F)(F)C=CCCCCCCCCCC1CO1
InChIInChI=1S/C14H23F3O/c15-14(16,17)11-9-7-5-3-1-2-4-6-8-10-13-12-18-13/h9,11,13H,1-8,10,12H2
InChIKeyJFWLVFLTBUYBMQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP5.01
Rot. Bonds10

About 2-(12,12,12-trifluorododec-10-enyl)oxirane

2-(12,12,12-trifluorododec-10-enyl)oxirane (PubChem CID 150671006) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(12,12,12-trifluorododec-10-enyl)oxirane.

Molecular Properties

Compound Name2-(12,12,12-trifluorododec-10-enyl)oxirane
PubChem CID150671006
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-(12,12,12-trifluorododec-10-enyl)oxirane
SMILESFC(F)(F)C=CCCCCCCCCCC1CO1
InChIInChI=1S/C14H23F3O/c15-14(16,17)11-9-7-5-3-1-2-4-6-8-10-13-12-18-13/h9,11,13H,1-8,10,12H2
InChIKeyJFWLVFLTBUYBMQ-UHFFFAOYSA-N
XLogP5.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(12,12,12-trifluorododec-10-enyl)oxirane?
The IUPAC name of 2-(12,12,12-trifluorododec-10-enyl)oxirane (CID 150671006) is 2-(12,12,12-trifluorododec-10-enyl)oxirane.
What is the SMILES notation for 2-(12,12,12-trifluorododec-10-enyl)oxirane?
The canonical SMILES for 2-(12,12,12-trifluorododec-10-enyl)oxirane is FC(F)(F)C=CCCCCCCCCCC1CO1.
What is the InChIKey of 2-(12,12,12-trifluorododec-10-enyl)oxirane?
The InChIKey is JFWLVFLTBUYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O/c15-14(16,17)11-9-7-5-3-1-2-4-6-8-10-13-12-18-13/h9,11,13H,1-8,10,12H2.
What are the key properties of 2-(12,12,12-trifluorododec-10-enyl)oxirane?
2-(12,12,12-trifluorododec-10-enyl)oxirane has a molecular weight of 264.33 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12,12-trifluorododec-10-enyl)oxirane is sourced from PubChem (CID 150671006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).