7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate

C13H15F9O2 — CID 118106898

IUPAC7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F9O2/c1-2-9(23)24-8-6-4-3-5-7-10(14,15)11(16,17)12(18,19)13(20,21)22/h2H,1,3-8H2
InChIKeyYCKLYVMZDQPDKR-UHFFFAOYSA-N
MW374.24 g/mol
LogP5.13
Rot. Bonds10

About 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate

7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate (PubChem CID 118106898) has the molecular formula C13H15F9O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate
PubChem CID118106898
Molecular FormulaC13H15F9O2
Molecular Weight374.24 g/mol
Exact Mass374.09
IUPAC Name7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F9O2/c1-2-9(23)24-8-6-4-3-5-7-10(14,15)11(16,17)12(18,19)13(20,21)22/h2H,1,3-8H2
InChIKeyYCKLYVMZDQPDKR-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluorononadecyl prop-2-enoate
CID 175938284
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl prop-2-enoate
CID 52991911
5,5,6,6,7,7,8,8,9,9,10,10,11,11,13,13,15,15,16,16,16-henicosafluorohexadecyl prop-2-enoate
CID 175788473
11-[4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]phenoxy]undecyl prop-2-enoate
CID 101418978
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2,2,3,3-tetrafluoro-5-prop-2-enoyloxypentanoate
CID 88526302
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
[7-(difluoromethyl)-3,3,4,4,5,5,6,6,7,8,8,8-dodecafluorooctyl] prop-2-enoate
CID 172511249
ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate
CID 91459836
[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate
CID 159187319
2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexylsulfonyl)ethyl prop-2-enoate
CID 140831611

Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate?
The IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate (CID 118106898) is 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate.
What is the SMILES notation for 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate?
The canonical SMILES for 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate is C=CC(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate?
The InChIKey is YCKLYVMZDQPDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F9O2/c1-2-9(23)24-8-6-4-3-5-7-10(14,15)11(16,17)12(18,19)13(20,21)22/h2H,1,3-8H2.
What are the key properties of 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate?
7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate has a molecular weight of 374.24 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate is sourced from PubChem (CID 118106898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).