3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone

C13H17F3O2 — CID 105127417

IUPAC3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)11-5-3-9(4-6-11)12(17)10-2-1-7-18-8-10/h8-9,11H,1-7H2
InChIKeyCYJIEHUXGSDRIF-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.62
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone

3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105127417) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105127417
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)11-5-3-9(4-6-11)12(17)10-2-1-7-18-8-10/h8-9,11H,1-7H2
InChIKeyCYJIEHUXGSDRIF-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.62
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
3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105127365
3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105127369
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579792
cyclohexyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058244
3,4-dihydro-2H-pyran-5-yl-(3-methylcyclohexyl)methanone
CID 104058275
3,4-dihydro-2H-pyran-5-yl-(4-methylcyclohexyl)methanone
CID 104058276
3,4-dihydro-2H-pyran-5-yl-(4-ethylcyclohexyl)methanone
CID 104058348
3,4-dihydro-2H-pyran-5-yl-(4,4-dimethylcyclohexyl)methanone
CID 104058349
cycloheptyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058350
3,4-dihydro-2H-pyran-5-yl-(4-propylcyclohexyl)methanone
CID 104058351

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone (CID 105127417) is 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(C1=COCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is CYJIEHUXGSDRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c14-13(15,16)11-5-3-9(4-6-11)12(17)10-2-1-7-18-8-10/h8-9,11H,1-7H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 262.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105127417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).