2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane

C11H17F3O — CID 162401105

IUPAC2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane
SMILESFC(F)(F)C/C=C/CCCCCC1CO1
InChIInChI=1S/C11H17F3O/c12-11(13,14)8-6-4-2-1-3-5-7-10-9-15-10/h4,6,10H,1-3,5,7-9H2/b6-4+
InChIKeyMQWGGTRTEKMPKL-GQCTYLIASA-N
MW222.25 g/mol
LogP3.84
Rot. Bonds7

About 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane

2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane (PubChem CID 162401105) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane
PubChem CID162401105
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane
SMILESFC(F)(F)C/C=C/CCCCCC1CO1
InChIInChI=1S/C11H17F3O/c12-11(13,14)8-6-4-2-1-3-5-7-10-9-15-10/h4,6,10H,1-3,5,7-9H2/b6-4+
InChIKeyMQWGGTRTEKMPKL-GQCTYLIASA-N
XLogP3.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.84
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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Related Compounds

17-Oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536
1,2-Epoxy-cyclohexadec-9-ene
CID 54230859
17-Oxabicyclo(14.1.0)heptadec-8-ene
CID 56841879
2-(9,9,10,10,11,11,12,12,12-Nonafluorododec-7-en-1-yl)oxirane
CID 129750134
2-(9,9,9-Trifluoronon-7-en-1-yl)oxirane
CID 129750535
2-[(E)-7,7,7-trifluorohept-4-enyl]oxirane
CID 135023309
2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane
CID 164669326
3,3-Difluoro-4-methoxycyclooctene
CID 123637977
18-Fluoro-20-methoxynonacosa-6,9-diene
CID 123905826
(1Z)-3,3-difluoro-4-methoxycyclooctene
CID 130391915
2-(12,12,12-Trifluorododec-10-enyl)oxirane
CID 150671006
5-Cyclodecene, 1,2-epoxy-
CID 5365565

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane?
The IUPAC name of 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane (CID 162401105) is 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane.
What is the SMILES notation for 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane?
The canonical SMILES for 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane is FC(F)(F)C/C=C/CCCCCC1CO1.
What is the InChIKey of 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane?
The InChIKey is MQWGGTRTEKMPKL-GQCTYLIASA-N. The full InChI is InChI=1S/C11H17F3O/c12-11(13,14)8-6-4-2-1-3-5-7-10-9-15-10/h4,6,10H,1-3,5,7-9H2/b6-4+.
What are the key properties of 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane?
2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane has a molecular weight of 222.25 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-9,9,9-trifluoronon-6-enyl]oxirane is sourced from PubChem (CID 162401105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).