1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate

C6H6F4O2 — CID 19741879

IUPAC1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(C)(F)C(F)F
InChIInChI=1S/C6H6F4O2/c1-3(7)4(11)12-6(2,10)5(8)9/h5H,1H2,2H3
InChIKeySWBMLYAVSNJKGU-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.96
Rot. Bonds3

About 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate

1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate (PubChem CID 19741879) has the molecular formula C6H6F4O2 and a molecular weight of 186.10 g/mol. Its IUPAC name is 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
PubChem CID19741879
Molecular FormulaC6H6F4O2
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Name1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(C)(F)C(F)F
InChIInChI=1S/C6H6F4O2/c1-3(7)4(11)12-6(2,10)5(8)9/h5H,1H2,2H3
InChIKeySWBMLYAVSNJKGU-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.96
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-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-fluoroprop-2-enoate
CID 58789608
1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
CID 19741880
[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroprop-2-enoyloxy)propan-2-yl]phenyl]propan-2-yl] 2-fluoroprop-2-enoate
CID 88604704
2-piperidin-1-ium-4-ylpropan-2-yl 2-fluoroprop-2-enoate
CID 167316028
3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene
CID 118145936
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-methylprop-2-enoate
CID 11199384
tert-butyl 4,4,4-trifluoro-3-hydroxy-2-methylidenebutanoate
CID 178152991
2-fluoro-4-methylpent-1-en-3-one
CID 135183491
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-yl] 2-fluoroprop-2-enoate
CID 89354019
1,1-difluoro-2-[3-(2-fluoroprop-2-enoyloxy)-3-methylbutanoyl]oxyethanesulfonate
CID 58352359
(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate
CID 147136545

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate?
The IUPAC name of 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate (CID 19741879) is 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate.
What is the SMILES notation for 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate?
The canonical SMILES for 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate is C=C(F)C(=O)OC(C)(F)C(F)F.
What is the InChIKey of 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate?
The InChIKey is SWBMLYAVSNJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O2/c1-3(7)4(11)12-6(2,10)5(8)9/h5H,1H2,2H3.
What are the key properties of 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate?
1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate has a molecular weight of 186.10 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate is sourced from PubChem (CID 19741879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).