3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone

C13H17F3O2 — CID 102648665

IUPAC3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1=CCCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11/h6,9-10H,1-5,7-8H2
InChIKeyJOMFIMXXJTYJSG-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.62
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone

3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 102648665) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID102648665
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1=CCCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11/h6,9-10H,1-5,7-8H2
InChIKeyJOMFIMXXJTYJSG-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-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
CID 118351383
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102648613
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102648650
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648736
2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 102652747
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102652786
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102652806
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652879
(3,3-difluorocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 130484861
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646802
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanone
CID 102646830

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone (CID 102648665) is 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(C1=CCCCO1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is JOMFIMXXJTYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(17)11-6-1-2-7-18-11/h6,9-10H,1-5,7-8H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone?
3,4-dihydro-2H-pyran-6-yl-[3-(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-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 102648665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).