(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one

C6H5F3O2 — CID 101060065

IUPAC(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5-3-4(10)1-2-11-5/h1-2,5H,3H2/t5-/m1/s1
InChIKeyOAIRNCDQEFBOKH-RXMQYKEDSA-N
MW166.10 g/mol
LogP1.42
Rot. Bonds

About (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one

(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one (PubChem CID 101060065) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one
PubChem CID101060065
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5-3-4(10)1-2-11-5/h1-2,5H,3H2/t5-/m1/s1
InChIKeyOAIRNCDQEFBOKH-RXMQYKEDSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3,4-dihydro-2H-pyran-4-one
CID 10909523
2-Ethyl-3,3-difluoro-2,3-dihydro-4H-pyran-4-one
CID 45090769
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyran-4-one
CID 118366718
2-(1,1,2,2-Tetrafluoroethyl)-2,3-dihydropyran-4-one
CID 140605224
(S)-2-Methyl-2H-pyran-4(3H)-one
CID 5324863
2-(Difluoromethyl)-2,3-dihydropyran-4-one
CID 10464474
(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one
CID 101060061
(2S)-2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
CID 129522027
(2R)-2-(2,2,2-trifluoroethyl)-2,3-dihydropyran-4-one
CID 129522028
(R)-2-methyl-2H-pyran-4(3H)-one
CID 12152438

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one (CID 101060065) is (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one is O=C1C=CO[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one?
The InChIKey is OAIRNCDQEFBOKH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-6(8,9)5-3-4(10)1-2-11-5/h1-2,5H,3H2/t5-/m1/s1.
What are the key properties of (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one?
(2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one has a molecular weight of 166.10 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(trifluoromethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 101060065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).