2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone

C13H15F3O2 — CID 105125804

IUPAC2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccco1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H15F3O2/c14-13(15,16)11-6-2-1-5-10(11)12(17)8-9-4-3-7-18-9/h3-4,7,10-11H,1-2,5-6,8H2
InChIKeyHKMNDOARZPRILF-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.76
Rot. Bonds3

About 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone

2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105125804) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105125804
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccco1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H15F3O2/c14-13(15,16)11-6-2-1-5-10(11)12(17)8-9-4-3-7-18-9/h3-4,7,10-11H,1-2,5-6,8H2
InChIKeyHKMNDOARZPRILF-UHFFFAOYSA-N
XLogP3.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105081315
cis-(1S,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793149
trans-(1R,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793148
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757656
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (CID 105125804) is 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1ccco1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is HKMNDOARZPRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)11-6-2-1-5-10(11)12(17)8-9-4-3-7-18-9/h3-4,7,10-11H,1-2,5-6,8H2.
What are the key properties of 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 260.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105125804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).