1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane

C7H10F6O2Si — CID 175090999

IUPAC1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
SMILESC=CC(=O)OC(F)C(F)(F)C(F)C(F)F.[SiH4]
InChIInChI=1S/C7H6F6O2.H4Si/c1-2-3(14)15-6(11)7(12,13)4(8)5(9)10;/h2,4-6H,1H2;1H4
InChIKeyNLGGNNUFQJSBHA-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.80
Rot. Bonds5

About 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane

1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane (PubChem CID 175090999) has the molecular formula C7H10F6O2Si and a molecular weight of 268.23 g/mol. Its IUPAC name is 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane.

Molecular Properties

Compound Name1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
PubChem CID175090999
Molecular FormulaC7H10F6O2Si
Molecular Weight268.23 g/mol
Exact Mass268.04
IUPAC Name1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
SMILESC=CC(=O)OC(F)C(F)(F)C(F)C(F)F.[SiH4]
InChIInChI=1S/C7H6F6O2.H4Si/c1-2-3(14)15-6(11)7(12,13)4(8)5(9)10;/h2,4-6H,1H2;1H4
InChIKeyNLGGNNUFQJSBHA-UHFFFAOYSA-N
XLogP0.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,4,5,6,6-octafluorohexyl prop-2-enoate
CID 87346066
1,2,2,3,3,4,5,6,7,8,9,9-dodecafluorononyl prop-2-enoate
CID 135341747
[1,2,2,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] prop-2-enoate
CID 88517162
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononyl prop-2-enoate
CID 22465163
[2,2,2-trifluoro-1-(trifluoromethoxy)ethyl] prop-2-enoate
CID 139981517
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
CID 154160428
1,2,3-trifluoroprop-2-enyl prop-2-enoate
CID 173408929
1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
CID 21470424
(3,3,5,5,5-pentafluoro-4-hydroxypentan-2-yl) prop-2-enoate
CID 58995488
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane?
The IUPAC name of 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane (CID 175090999) is 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane.
What is the SMILES notation for 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane?
The canonical SMILES for 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane is C=CC(=O)OC(F)C(F)(F)C(F)C(F)F.[SiH4].
What is the InChIKey of 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane?
The InChIKey is NLGGNNUFQJSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O2.H4Si/c1-2-3(14)15-6(11)7(12,13)4(8)5(9)10;/h2,4-6H,1H2;1H4.
What are the key properties of 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane?
1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane has a molecular weight of 268.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane is sourced from PubChem (CID 175090999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).