1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate

C9H7F9O2 — CID 19024310

IUPAC1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H7F9O2/c1-3(2)4(19)20-6(12)8(15,16)9(17,18)7(13,14)5(10)11/h5-6H,1H2,2H3
InChIKeyFEZBAYGFADRJLX-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.57
Rot. Bonds6

About 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate

1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate (PubChem CID 19024310) has the molecular formula C9H7F9O2 and a molecular weight of 318.14 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate
PubChem CID19024310
Molecular FormulaC9H7F9O2
Molecular Weight318.14 g/mol
Exact Mass318.03
IUPAC Name1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H7F9O2/c1-3(2)4(19)20-6(12)8(15,16)9(17,18)7(13,14)5(10)11/h5-6H,1H2,2H3
InChIKeyFEZBAYGFADRJLX-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,3,4,4,4-octafluorobutyl 2-methylprop-2-enoate
CID 22610830
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctyl hydrogen carbonate
CID 89413924
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluoroundecyl 2-methylprop-2-enoate
CID 54159363
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-methylprop-2-enoate
CID 11199384
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-2-yl 2-methylprop-2-enoate
CID 87776584
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononyl prop-2-enoate
CID 22465163
(4,4,5,5,6,6,7,7-octafluoro-2-hydroxyheptyl) 2-methylprop-2-enoate
CID 139918530
(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate
CID 21187236
1,2,2,3,3,4,4,4-octafluorobutyl 2-cyanoprop-2-enoate
CID 23002765
1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoro-2-hydroxyundecyl) 2-methylprop-2-enoate
CID 139918567
1,1-difluoro-2-[1-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonic acid
CID 58491434

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate?
The IUPAC name of 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate (CID 19024310) is 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate?
The InChIKey is FEZBAYGFADRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F9O2/c1-3(2)4(19)20-6(12)8(15,16)9(17,18)7(13,14)5(10)11/h5-6H,1H2,2H3.
What are the key properties of 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate?
1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate has a molecular weight of 318.14 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate is sourced from PubChem (CID 19024310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).