2,3,4,5,6,9-hexafluorononyl prop-2-enoate

C12H16F6O2 — CID 174535597

IUPAC2,3,4,5,6,9-hexafluorononyl prop-2-enoate
SMILESC=CC(=O)OCC(F)C(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C12H16F6O2/c1-2-9(19)20-6-8(15)11(17)12(18)10(16)7(14)4-3-5-13/h2,7-8,10-12H,1,3-6H2
InChIKeyYLVDJDLGUKGEQW-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.16
Rot. Bonds10

About 2,3,4,5,6,9-hexafluorononyl prop-2-enoate

2,3,4,5,6,9-hexafluorononyl prop-2-enoate (PubChem CID 174535597) has the molecular formula C12H16F6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexafluorononyl prop-2-enoate.

Molecular Properties

Compound Name2,3,4,5,6,9-hexafluorononyl prop-2-enoate
PubChem CID174535597
Molecular FormulaC12H16F6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name2,3,4,5,6,9-hexafluorononyl prop-2-enoate
SMILESC=CC(=O)OCC(F)C(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C12H16F6O2/c1-2-9(19)20-6-8(15)11(17)12(18)10(16)7(14)4-3-5-13/h2,7-8,10-12H,1,3-6H2
InChIKeyYLVDJDLGUKGEQW-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid
CID 175292970
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
(8-amino-2-methyloctyl) prop-2-enoate
CID 150808477
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
CID 174639375
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexafluorononyl prop-2-enoate?
The IUPAC name of 2,3,4,5,6,9-hexafluorononyl prop-2-enoate (CID 174535597) is 2,3,4,5,6,9-hexafluorononyl prop-2-enoate.
What is the SMILES notation for 2,3,4,5,6,9-hexafluorononyl prop-2-enoate?
The canonical SMILES for 2,3,4,5,6,9-hexafluorononyl prop-2-enoate is C=CC(=O)OCC(F)C(F)C(F)C(F)C(F)CCCF.
What is the InChIKey of 2,3,4,5,6,9-hexafluorononyl prop-2-enoate?
The InChIKey is YLVDJDLGUKGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O2/c1-2-9(19)20-6-8(15)11(17)12(18)10(16)7(14)4-3-5-13/h2,7-8,10-12H,1,3-6H2.
What are the key properties of 2,3,4,5,6,9-hexafluorononyl prop-2-enoate?
2,3,4,5,6,9-hexafluorononyl prop-2-enoate has a molecular weight of 306.25 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexafluorononyl prop-2-enoate is sourced from PubChem (CID 174535597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).