[(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate

C13H19F5O2 — CID 91691469

IUPAC[(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCC/C=C/COC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h8-9H,2-7,10H2,1H3/b9-8+
InChIKeyDDWXFCFXBMQAKJ-CMDGGOBGSA-N
MW302.28 g/mol
LogP4.64
Rot. Bonds9

About [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate

[(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91691469) has the molecular formula C13H19F5O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID91691469
Molecular FormulaC13H19F5O2
Molecular Weight302.28 g/mol
Exact Mass302.13
IUPAC Name[(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCC/C=C/COC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h8-9H,2-7,10H2,1H3/b9-8+
InChIKeyDDWXFCFXBMQAKJ-CMDGGOBGSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-Nonenyl acetate, (2E)-
CID 6365451
2-Decenyl acetate
CID 86882
2-Undecen-1-ol, 1-acetate
CID 110372
Acetic acid trans-2-decen-1-YL ester
CID 5363207
2-Tridecen-1-ol, 1-acetate
CID 110371
2-Tridecen-1-ol, acetate
CID 6437544
2-Dodecen-1-ol, 1-acetate
CID 170040
2-Undecenyl acetate
CID 5363202
2-Dodecenyl acetate
CID 6441593
(Z)-2-Nonenyl propionate
CID 6450502
Non-2-enyl acetate
CID 121704
2,2-Difluoro-3-tetradecenoic acid ethyl ester
CID 89483928

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate (CID 91691469) is [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate is CCCCCCC/C=C/COC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is DDWXFCFXBMQAKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H19F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h8-9H,2-7,10H2,1H3/b9-8+.
What are the key properties of [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
[(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 302.28 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-2-enyl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91691469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).