1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone

C13H18F2N2O — CID 105115196

IUPAC1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18F2N2O/c1-2-17-8-7-16-12(17)9-11(18)10-3-5-13(14,15)6-4-10/h7-8,10H,2-6,9H2,1H3
InChIKeyGGYMPHWPZGDKEQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.84
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone

1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 105115196) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID105115196
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18F2N2O/c1-2-17-8-7-16-12(17)9-11(18)10-3-5-13(14,15)6-4-10/h7-8,10H,2-6,9H2,1H3
InChIKeyGGYMPHWPZGDKEQ-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 116584210
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 105115196) is 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is GGYMPHWPZGDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-17-8-7-16-12(17)9-11(18)10-3-5-13(14,15)6-4-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 105115196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).