1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one

C8H9F3O2 — CID 102651042

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H9F3O2/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2H,1,3-5H2
InChIKeyVLBAQWMZZSWFGI-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.20
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one

1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 102651042) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one
PubChem CID102651042
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H9F3O2/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2H,1,3-5H2
InChIKeyVLBAQWMZZSWFGI-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,4-Trifluorobut-3-enoxy)cyclopent-2-en-1-one
CID 71472844
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one
CID 102646815
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-one
CID 102646965
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-one
CID 102650883
1-(2,3-Dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146941
3-(2,2-Difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 103147264
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214457
1-(2,3-Dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214459
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311622
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 108053516
1-(2,3-Dihydrofuran-5-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 108053519
1-(2,3-Dihydrofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 108096052

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one (CID 102651042) is 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one is O=C(CCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is VLBAQWMZZSWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h2H,1,3-5H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one?
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 194.15 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 102651042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).