1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate

C10H8F8O4 — CID 123690892

IUPAC1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)CC(F)(F)F.C=CC(=O)OC(F)(F)F
InChIInChI=1S/C6H5F5O2.C4H3F3O2/c1-2-4(12)13-6(10,11)3-5(7,8)9;1-2-3(8)9-4(5,6)7/h2H,1,3H2;2H,1H2
InChIKeyJMQBICJZZFHDDN-UHFFFAOYSA-N
MW344.15 g/mol
LogP3.50
Rot. Bonds4

About 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate

1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate (PubChem CID 123690892) has the molecular formula C10H8F8O4 and a molecular weight of 344.15 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate
PubChem CID123690892
Molecular FormulaC10H8F8O4
Molecular Weight344.15 g/mol
Exact Mass344.03
IUPAC Name1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)CC(F)(F)F.C=CC(=O)OC(F)(F)F
InChIInChI=1S/C6H5F5O2.C4H3F3O2/c1-2-4(12)13-6(10,11)3-5(7,8)9;1-2-3(8)9-4(5,6)7/h2H,1,3H2;2H,1H2
InChIKeyJMQBICJZZFHDDN-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethyl prop-2-enoate
CID 10197737
1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
CID 123374776
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluorodecyl prop-2-enoate
CID 87227707
(1,1,2,2,3,5,5,5-octafluoro-3-methylpentyl) prop-2-enoate
CID 175460309
[1,1,2,2-tetrafluoro-3-(trifluoromethoxy)propyl] prop-2-enoate
CID 19824845
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
1,1,2,2,3,3,4,4,5,8,8,8-dodecafluorooctyl prop-2-enoate
CID 87435634
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,12,12,12-icosafluorododecyl prop-2-enoate
CID 141062357
1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecyl prop-2-enoate
CID 139715016
tert-butyl prop-2-enoate
CID 158231977
1-ethenoxy-1,1,3,3,3-pentafluoropropane
CID 87600810
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate?
The IUPAC name of 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate (CID 123690892) is 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate.
What is the SMILES notation for 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate?
The canonical SMILES for 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate is C=CC(=O)OC(F)(F)CC(F)(F)F.C=CC(=O)OC(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate?
The InChIKey is JMQBICJZZFHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O2.C4H3F3O2/c1-2-4(12)13-6(10,11)3-5(7,8)9;1-2-3(8)9-4(5,6)7/h2H,1,3H2;2H,1H2.
What are the key properties of 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate?
1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate has a molecular weight of 344.15 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoropropyl prop-2-enoate;trifluoromethyl prop-2-enoate is sourced from PubChem (CID 123690892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).