[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate

C5H6F2O2 — CID 155237485

IUPAC[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate
SMILESO=C(CF)OC/C=C\F
InChIInChI=1S/C5H6F2O2/c6-2-1-3-9-5(8)4-7/h1-2H,3-4H2/b2-1-
InChIKeySZCCDSRRMDSUDT-UPHRSURJSA-N
MW136.10 g/mol
LogP0.98
Rot. Bonds3

About [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate

[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate (PubChem CID 155237485) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate.

Molecular Properties

Compound Name[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate
PubChem CID155237485
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate
SMILESO=C(CF)OC/C=C\F
InChIInChI=1S/C5H6F2O2/c6-2-1-3-9-5(8)4-7/h1-2H,3-4H2/b2-1-
InChIKeySZCCDSRRMDSUDT-UPHRSURJSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoroprop-2-enyl 2-methylprop-2-enoate
CID 67041236
1-fluoro-3-hydroperoxyprop-1-ene
CID 174702941
2-ethoxyethyl 2-fluoroacetate
CID 88537895
propyl 2-fluoroacetate
CID 24957
[(E)-4-carbonochloridoyloxybut-2-enyl] carbonochloridate
CID 18913356
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
bis[(E)-pent-2-enyl] pentanedioate
CID 91706483
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
1-O-[4-[4-oxo-4-(2,3,4,5,6-pentafluorophenoxy)butanoyl]oxybut-2-enyl] 4-O-(2,3,4,5,6-pentafluorophenyl) butanedioate
CID 123677913
(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
CID 175408800
but-2-enyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 171151935
[(E)-but-2-enyl] (3R)-3-hydroxybutanoate
CID 139893647

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate?
The IUPAC name of [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate (CID 155237485) is [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate.
What is the SMILES notation for [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate?
The canonical SMILES for [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate is O=C(CF)OC/C=C\F.
What is the InChIKey of [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate?
The InChIKey is SZCCDSRRMDSUDT-UPHRSURJSA-N. The full InChI is InChI=1S/C5H6F2O2/c6-2-1-3-9-5(8)4-7/h1-2H,3-4H2/b2-1-.
What are the key properties of [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate?
[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate has a molecular weight of 136.10 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate is sourced from PubChem (CID 155237485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).