1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C9H8F6O2 — CID 103311567

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESO=C(C1=COCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6O2/c10-8(11,12)7(9(13,14)15)6(16)5-2-1-3-17-4-5/h4,7H,1-3H2
InChIKeyUZZOFFMWJAWIFW-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.99
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103311567) has the molecular formula C9H8F6O2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103311567
Molecular FormulaC9H8F6O2
Molecular Weight262.15 g/mol
Exact Mass262.04
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESO=C(C1=COCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6O2/c10-8(11,12)7(9(13,14)15)6(16)5-2-1-3-17-4-5/h4,7H,1-3H2
InChIKeyUZZOFFMWJAWIFW-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethan-1-one
CID 104058466
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146866
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 103147160
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-one
CID 104058260
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluorobutan-1-one
CID 104058410
3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105127365
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105127417
1-(3,4-dihydro-2H-pyran-5-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 108053292
1-(3,4-dihydro-2H-pyran-5-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 108096002
1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one
CID 130562299
1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-one
CID 104058234

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103311567) is 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is O=C(C1=COCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is UZZOFFMWJAWIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O2/c10-8(11,12)7(9(13,14)15)6(16)5-2-1-3-17-4-5/h4,7H,1-3H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 262.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103311567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).