[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate

C10H6F12O2 — CID 54319495

IUPAC[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(12,8(14,15)16)5(11)7(13,9(17,18)19)10(20,21)22/h2,5H,1,3H2
InChIKeySQPVWJZAHUFSJY-UHFFFAOYSA-N
MW386.13 g/mol
LogP4.16
Rot. Bonds5

About [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate

[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate (PubChem CID 54319495) has the molecular formula C10H6F12O2 and a molecular weight of 386.13 g/mol. Its IUPAC name is [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate.

Molecular Properties

Compound Name[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate
PubChem CID54319495
Molecular FormulaC10H6F12O2
Molecular Weight386.13 g/mol
Exact Mass386.02
IUPAC Name[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(12,8(14,15)16)5(11)7(13,9(17,18)19)10(20,21)22/h2,5H,1,3H2
InChIKeySQPVWJZAHUFSJY-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.13
LogP ≤ 54.16
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

[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
[7-(difluoromethyl)-3,3,4,4,5,5,6,6,7,8,8,8-dodecafluorooctyl] prop-2-enoate
CID 172511249
[2-[[1,1,1,4,5,5,5-heptafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 90264952
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[2,2-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethyl] prop-2-enoate
CID 140957950

Frequently Asked Questions

What is the IUPAC name of [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate?
The IUPAC name of [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate (CID 54319495) is [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate.
What is the SMILES notation for [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate?
The canonical SMILES for [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate is C=CC(=O)OCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate?
The InChIKey is SQPVWJZAHUFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(12,8(14,15)16)5(11)7(13,9(17,18)19)10(20,21)22/h2,5H,1,3H2.
What are the key properties of [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate?
[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate has a molecular weight of 386.13 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate is sourced from PubChem (CID 54319495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).