furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone

C12H13F3O2 — CID 105099254

IUPACfuran-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1ccco1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H13F3O2/c13-12(14,15)9-5-2-1-4-8(9)11(16)10-6-3-7-17-10/h3,6-9H,1-2,4-5H2
InChIKeyZYZNBYNUFIQCDU-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.83
Rot. Bonds2

About furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone

furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105099254) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105099254
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Namefuran-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1ccco1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H13F3O2/c13-12(14,15)9-5-2-1-4-8(9)11(16)10-6-3-7-17-10/h3,6-9H,1-2,4-5H2
InChIKeyZYZNBYNUFIQCDU-UHFFFAOYSA-N
XLogP3.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-[2-(trifluoromethyl)cyclopropyl]methanone
CID 122389475
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
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
(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105078684
(4S,5S)-4-(furan-2-carbonyl)-5-(trifluoromethyl)cyclohex-2-en-1-one
CID 11507154
1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 35240590
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone
CID 116586098
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105099254) is furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(c1ccco1)C1CCCCC1C(F)(F)F.
What is the InChIKey of furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ZYZNBYNUFIQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)9-5-2-1-4-8(9)11(16)10-6-3-7-17-10/h3,6-9H,1-2,4-5H2.
What are the key properties of furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 246.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105099254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).