1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate

C6H4F6O2 — CID 19741880

IUPAC1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C6H4F6O2/c1-3(8)4(13)14-6(11,12)5(9,10)2-7/h1-2H2
InChIKeyKGUQYYGBGKTLHO-UHFFFAOYSA-N
MW222.08 g/mol
LogP2.21
Rot. Bonds4

About 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate

1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate (PubChem CID 19741880) has the molecular formula C6H4F6O2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
PubChem CID19741880
Molecular FormulaC6H4F6O2
Molecular Weight222.08 g/mol
Exact Mass222.01
IUPAC Name1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C6H4F6O2/c1-3(8)4(13)14-6(11,12)5(9,10)2-7/h1-2H2
InChIKeyKGUQYYGBGKTLHO-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
1,1,2-trifluoropropan-2-yl 2-fluoroprop-2-enoate
CID 19741879
[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
1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
CID 140506877
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
CID 87611035
1,1,2-trifluoroethyl 2-fluoroacetate
CID 151748690
iodo 2-fluoroprop-2-enoate
CID 166890088
[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl] 3,3-dideuterio-2-fluoroprop-2-enoate
CID 172812854
1,1,2,2,3,3,3-heptafluoropropyl 3-fluoro-3-oxopropanoate
CID 173484159
bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
CID 163449787
(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate
CID 123215032

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate?
The IUPAC name of 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate (CID 19741880) is 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate?
The canonical SMILES for 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OC(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate?
The InChIKey is KGUQYYGBGKTLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O2/c1-3(8)4(13)14-6(11,12)5(9,10)2-7/h1-2H2.
What are the key properties of 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate?
1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate has a molecular weight of 222.08 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 19741880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).