1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one

C8H10F4O2 — CID 103473746

IUPAC1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one
SMILESC=CCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4O2/c1-2-3-6(13)4-14-5-8(11,12)7(9)10/h2,7H,1,3-5H2
InChIKeyGFMKRIUAHJTJGZ-UHFFFAOYSA-N
MW214.16 g/mol
LogP2.05
Rot. Bonds7

About 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one

1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one (PubChem CID 103473746) has the molecular formula C8H10F4O2 and a molecular weight of 214.16 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one
PubChem CID103473746
Molecular FormulaC8H10F4O2
Molecular Weight214.16 g/mol
Exact Mass214.06
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one
SMILESC=CCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4O2/c1-2-3-6(13)4-14-5-8(11,12)7(9)10/h2,7H,1,3-5H2
InChIKeyGFMKRIUAHJTJGZ-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-4,4-difluorohexa-1,5-dien-3-one
CID 123433422
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-one
CID 103213946
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-one
CID 103214142
1-(2,2,3,3-Tetrafluoropropoxy)hept-6-en-2-one
CID 103473676
1-(2,2,3,3-Tetrafluoropropoxy)hex-5-en-2-one
CID 103473832
2-(Difluoromethoxy)-1,1,1,2-tetrafluorohept-6-en-3-one
CID 158008444
1-(2-Oxopent-4-enoxy)pent-4-en-2-one
CID 88216372
1-Propoxypent-4-en-2-one
CID 61810324

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one (CID 103473746) is 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one is C=CCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one?
The InChIKey is GFMKRIUAHJTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O2/c1-2-3-6(13)4-14-5-8(11,12)7(9)10/h2,7H,1,3-5H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one?
1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one has a molecular weight of 214.16 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one is sourced from PubChem (CID 103473746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).