(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate

C12H17FO4 — CID 141014379

IUPAC(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate
SMILESC=CC(=O)OCCCCCC(F)OC(=O)C=C
InChIInChI=1S/C12H17FO4/c1-3-11(14)16-9-7-5-6-8-10(13)17-12(15)4-2/h3-4,10H,1-2,5-9H2
InChIKeyBJBMITKGUWEODX-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.30
Rot. Bonds9

About (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate

(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate (PubChem CID 141014379) has the molecular formula C12H17FO4 and a molecular weight of 244.26 g/mol. Its IUPAC name is (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate.

Molecular Properties

Compound Name(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate
PubChem CID141014379
Molecular FormulaC12H17FO4
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate
SMILESC=CC(=O)OCCCCCC(F)OC(=O)C=C
InChIInChI=1S/C12H17FO4/c1-3-11(14)16-9-7-5-6-8-10(13)17-12(15)4-2/h3-4,10H,1-2,5-9H2
InChIKeyBJBMITKGUWEODX-UHFFFAOYSA-N
XLogP2.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
14-fluorotetradecyl prop-2-enoate
CID 142675259
11-fluoroundecyl prop-2-enoate
CID 88673047
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
CID 156681384
CID 156681384
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate?
The IUPAC name of (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate (CID 141014379) is (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate.
What is the SMILES notation for (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate?
The canonical SMILES for (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate is C=CC(=O)OCCCCCC(F)OC(=O)C=C.
What is the InChIKey of (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate?
The InChIKey is BJBMITKGUWEODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4/c1-3-11(14)16-9-7-5-6-8-10(13)17-12(15)4-2/h3-4,10H,1-2,5-9H2.
What are the key properties of (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate?
(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate has a molecular weight of 244.26 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate is sourced from PubChem (CID 141014379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).