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

C12H17F3O — CID 162538404

IUPAC(2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESFC(F)(F)[C@@H]1C=CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C12H17F3O/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h4,8-11H,1-3,5-7H2/t10-,11+/m1/s1
InChIKeyMFZFFZPKKXJYNB-MNOVXSKESA-N
MW234.26 g/mol
LogP3.84
Rot. Bonds1

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

(2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran (PubChem CID 162538404) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
PubChem CID162538404
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name(2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESFC(F)(F)[C@@H]1C=CC[C@H](C2CCCCC2)O1
InChIInChI=1S/C12H17F3O/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h4,8-11H,1-3,5-7H2/t10-,11+/m1/s1
InChIKeyMFZFFZPKKXJYNB-MNOVXSKESA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran (CID 162538404) is (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6S)-2-cyclohexyl-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-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The InChIKey is MFZFFZPKKXJYNB-MNOVXSKESA-N. The full InChI is InChI=1S/C12H17F3O/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h4,8-11H,1-3,5-7H2/t10-,11+/m1/s1.
What are the key properties of (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran?
(2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran has a molecular weight of 234.26 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-cyclohexyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 162538404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).