2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone

C12H15F3O2 — CID 102652786

IUPAC2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3O2/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h2,8-9H,1,3-7H2
InChIKeyVGDJKEOOEVPYHO-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.23
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone

2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 102652786) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID102652786
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1=CCCO1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3O2/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h2,8-9H,1,3-7H2
InChIKeyVGDJKEOOEVPYHO-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 15311287
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
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102648665
(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-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102652806
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652879
(3,3-Difluorocyclopentyl)-(2,3-dihydrofuran-5-yl)methanone
CID 130484849
(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-(4-methylcyclohexyl)methanone
CID 102646831

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone (CID 102652786) is 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(C1=CCCO1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is VGDJKEOOEVPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c13-12(14,15)9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h2,8-9H,1,3-7H2.
What are the key properties of 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone?
2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 248.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 102652786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).