1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate

C8H7F7O3 — CID 154160428

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F7O3/c1-3-5(16)17-4(2)18-6(9,7(10,11)12)8(13,14)15/h3-4H,1H2,2H3
InChIKeyUMACCFAOEVCRLC-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.87
Rot. Bonds4

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate (PubChem CID 154160428) has the molecular formula C8H7F7O3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
PubChem CID154160428
Molecular FormulaC8H7F7O3
Molecular Weight284.13 g/mol
Exact Mass284.03
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F7O3/c1-3-5(16)17-4(2)18-6(9,7(10,11)12)8(13,14)15/h3-4H,1H2,2H3
InChIKeyUMACCFAOEVCRLC-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl prop-2-enoate
CID 21257919
(1,1,1,2,2,5,5,5-octafluoro-4-methylpentan-3-yl) prop-2-enoate
CID 141084105
[2,2,2-trifluoro-1-(trifluoromethoxy)ethyl] prop-2-enoate
CID 139981517
(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate
CID 54347670
1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
[1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-yl] prop-2-enoate
CID 87803092
(1-acetyloxy-2,2,2-trifluoroethyl) prop-2-enoate
CID 19366626
3,3,4,4-tetrafluorohexan-2-yl prop-2-enoate
CID 141398863
(4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-methylheptan-3-yl) prop-2-enoate
CID 174212531
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-3-yl prop-2-enoate
CID 175043248
(3,3,5,5,5-pentafluoro-4-hydroxypentan-2-yl) prop-2-enoate
CID 58995488

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate (CID 154160428) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate is C=CC(=O)OC(C)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate?
The InChIKey is UMACCFAOEVCRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7O3/c1-3-5(16)17-4(2)18-6(9,7(10,11)12)8(13,14)15/h3-4H,1H2,2H3.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate has a molecular weight of 284.13 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate is sourced from PubChem (CID 154160428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).