1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one

C8H9F3O2 — CID 102646815

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C8H9F3O2/c9-8(10,11)5-6(12)7-3-1-2-4-13-7/h3H,1-2,4-5H2
InChIKeyPEHPVTMUWQHYAT-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.20
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 102646815) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one
PubChem CID102646815
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C8H9F3O2/c9-8(10,11)5-6(12)7-3-1-2-4-13-7/h3H,1-2,4-5H2
InChIKeyPEHPVTMUWQHYAT-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one (CID 102646815) is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is PEHPVTMUWQHYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c9-8(10,11)5-6(12)7-3-1-2-4-13-7/h3H,1-2,4-5H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 194.15 g/mol, XLogP of 2.20, 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-6-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 102646815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).