3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one

C8H5F7O2 — CID 71325186

IUPAC3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one
SMILESO=C1OCCC1=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)3-4-1-2-17-5(4)16/h3H,1-2H2
InChIKeyZJUOJFUEUWDGJY-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.69
Rot. Bonds2

About 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one

3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one (PubChem CID 71325186) has the molecular formula C8H5F7O2 and a molecular weight of 266.11 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one
PubChem CID71325186
Molecular FormulaC8H5F7O2
Molecular Weight266.11 g/mol
Exact Mass266.02
IUPAC Name3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one
SMILESO=C1OCCC1=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)3-4-1-2-17-5(4)16/h3H,1-2H2
InChIKeyZJUOJFUEUWDGJY-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.69
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

ethyl (E,2E)-2-(2,2,2-trifluoroethylidene)hex-4-enoate
CID 135053778
3-(4-Methylpent-3-enylidene)oxolan-2-one
CID 85762279
(3E)-3-(4-methylpent-3-enylidene)oxolan-2-one
CID 101410410
ethyl (E)-2-ethyl-4,4,4-trifluorobut-2-enoate
CID 10821704
ethyl (2E)-2-(2,2,2-trifluoroethylidene)pent-4-enoate
CID 135008908
ethyl (E)-2-ethyl-4,4-difluorobut-2-enoate
CID 10749816
ethyl (E)-4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)but-2-enoate
CID 25231732
2,2,2-Trifluoroethyl 5,5,6,6,6-pentafluoro-2-methylhex-2-enoate
CID 57232829
ethyl (E)-2-(2,2,2-trifluoroethyl)pent-2-enoate
CID 59946127
4-(2,2,2-trifluoroethyl)-2H-furan-5-one
CID 69817149
Ethyl 2-(2,2,2-trifluoroethyl)pent-2-enoate
CID 72603355
4,4,4-Trifluoro-2-(2,2,2-trifluoroethyl)but-2-enoic acid ethyl ester
CID 74410056

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one?
The IUPAC name of 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one (CID 71325186) is 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one.
What is the SMILES notation for 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one?
The canonical SMILES for 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one is O=C1OCCC1=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one?
The InChIKey is ZJUOJFUEUWDGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)3-4-1-2-17-5(4)16/h3H,1-2H2.
What are the key properties of 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one?
3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one has a molecular weight of 266.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,4-heptafluorobutylidene)oxolan-2-one is sourced from PubChem (CID 71325186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).