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

Name: 3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₇F₃O₂ — CID 105127417

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID	105127417
Molecular Formula	C₁₃H₁₇F₃O₂
Molecular Weight	262.27 g/mol
Exact Mass	262.12
IUPAC Name	3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILES	O=C(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChI	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
InChIKey	CYJIEHUXGSDRIF-UHFFFAOYSA-N
XLogP	3.62
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.27
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 105127417 — identifiers, structure, computed properties (public domain)

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