(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran

C12H11F3O — CID 162538407

IUPAC(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESFC(F)(F)[C@@H]1C=CC[C@H](c2ccccc2)O1
InChIInChI=1S/C12H11F3O/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h1-6,8,10-11H,7H2/t10-,11+/m1/s1
InChIKeyJTGFZFSYAAQRQO-MNOVXSKESA-N
MW228.21 g/mol
LogP3.64
Rot. Bonds1

About (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran

(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran (PubChem CID 162538407) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
PubChem CID162538407
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESFC(F)(F)[C@@H]1C=CC[C@H](c2ccccc2)O1
InChIInChI=1S/C12H11F3O/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h1-6,8,10-11H,7H2/t10-,11+/m1/s1
InChIKeyJTGFZFSYAAQRQO-MNOVXSKESA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[(2S,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
CID 100981832
1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
CID 102335446
2,6-diphenylmorpholine
CID 43381979
(1S,2R,6S)-2-phenyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 125487330
(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran
CID 100981830
(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
CID 14379890
2-phenyloxirane
CID 7276
(2-methylcyclopent-3-en-1-yl)benzene
CID 85085291
2,6-diphenyloxan-4-one
CID 500287
ethane;2-phenyloxirane
CID 54171856
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran (CID 162538407) is (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran is FC(F)(F)[C@@H]1C=CC[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The InChIKey is JTGFZFSYAAQRQO-MNOVXSKESA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h1-6,8,10-11H,7H2/t10-,11+/m1/s1.
What are the key properties of (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran has a molecular weight of 228.21 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 162538407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).