2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane

C12H17F5O — CID 164669326

IUPAC2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane
SMILESFC(F)(F)C(F)(F)C/C=C/CCCCCC1CO1
InChIInChI=1S/C12H17F5O/c13-11(14,12(15,16)17)8-6-4-2-1-3-5-7-10-9-18-10/h4,6,10H,1-3,5,7-9H2/b6-4+
InChIKeyKYVBCSCINVBMTR-GQCTYLIASA-N
MW272.26 g/mol
LogP4.48
Rot. Bonds8

About 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane

2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane (PubChem CID 164669326) has the molecular formula C12H17F5O and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane
PubChem CID164669326
Molecular FormulaC12H17F5O
Molecular Weight272.26 g/mol
Exact Mass272.12
IUPAC Name2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane
SMILESFC(F)(F)C(F)(F)C/C=C/CCCCCC1CO1
InChIInChI=1S/C12H17F5O/c13-11(14,12(15,16)17)8-6-4-2-1-3-5-7-10-9-18-10/h4,6,10H,1-3,5,7-9H2/b6-4+
InChIKeyKYVBCSCINVBMTR-GQCTYLIASA-N
XLogP4.48
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 54.48
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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane with MolForge

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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)-9,9,9-trifluoronon-6-enyl]oxirane
CID 162401105
2-(12,12,12-Trifluorododec-10-enyl)oxirane
CID 150671006
5-Cyclodecene, 1,2-epoxy-
CID 5365565
trans-1,2-Epoxycyclododec-5-ene
CID 129734349
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluorododec-11-enyl)oxirane
CID 101601281
(E)-1,1,1-trifluoro-12-methoxydodec-3-ene
CID 102340127

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane?
The IUPAC name of 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane (CID 164669326) is 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane.
What is the SMILES notation for 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane?
The canonical SMILES for 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane is FC(F)(F)C(F)(F)C/C=C/CCCCCC1CO1.
What is the InChIKey of 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane?
The InChIKey is KYVBCSCINVBMTR-GQCTYLIASA-N. The full InChI is InChI=1S/C12H17F5O/c13-11(14,12(15,16)17)8-6-4-2-1-3-5-7-10-9-18-10/h4,6,10H,1-3,5,7-9H2/b6-4+.
What are the key properties of 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane?
2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane has a molecular weight of 272.26 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-9,9,10,10,10-pentafluorodec-6-enyl]oxirane is sourced from PubChem (CID 164669326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).