1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one

C9H13FO2 — CID 130562299

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)C1=COCCC1
InChIInChI=1S/C9H13FO2/c1-9(2,10)8(11)7-4-3-5-12-6-7/h6H,3-5H2,1-2H3
InChIKeyWEHKMTVXCHRJKP-UHFFFAOYSA-N
MW172.20 g/mol
LogP2.00
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130562299) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130562299
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)C1=COCCC1
InChIInChI=1S/C9H13FO2/c1-9(2,10)8(11)7-4-3-5-12-6-7/h6H,3-5H2,1-2H3
InChIKeyWEHKMTVXCHRJKP-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311567
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
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
3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
CID 130855794
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylprop-2-en-1-one
CID 12141344
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023488
1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-one
CID 104058234
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 104058236
1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 104058242
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one
CID 104058245

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one (CID 130562299) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is WEHKMTVXCHRJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO2/c1-9(2,10)8(11)7-4-3-5-12-6-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 172.20 g/mol, XLogP of 2.00, 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)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130562299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).