2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol

C12H18F2N2O — CID 114224502

IUPAC2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)CC1CCCC(F)(F)C1
InChIInChI=1S/C12H18F2N2O/c1-16-8-15-7-10(16)11(17)5-9-3-2-4-12(13,14)6-9/h7-9,11,17H,2-6H2,1H3
InChIKeyKZJFGMPCYZLMNG-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.67
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol

2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 114224502) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID114224502
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)CC1CCCC(F)(F)C1
InChIInChI=1S/C12H18F2N2O/c1-16-8-15-7-10(16)11(17)5-9-3-2-4-12(13,14)6-9/h7-9,11,17H,2-6H2,1H3
InChIKeyKZJFGMPCYZLMNG-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N,N-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)imidazole-1-sulfonamide
CID 71606675
cyclohexyl-[7-[(1R,2R)-2-fluorocyclopropyl]-7,8-dihydroimidazo[1,5-a]pyridin-8-yl]methanol
CID 145166894
4,4,4-Trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762
4,4,4-Trifluoro-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66131239
1-(3-Ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66135153
1-(3-Cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
4,4,4-Trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol
CID 66164032
4,4,4-Trifluoro-1-(1-methylimidazol-4-yl)butan-1-ol
CID 107978439
5,5,5-Trifluoro-1-(1-methylimidazol-4-yl)pentan-1-ol
CID 107978602
5,5,5-Trifluoro-1-(3-propylimidazol-4-yl)pentan-1-ol
CID 113326790
5,5,5-Trifluoro-1-(3-propan-2-ylimidazol-4-yl)pentan-1-ol
CID 113326791
2-(3,3-Difluorocyclopentyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 114224503

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol (CID 114224502) is 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is KZJFGMPCYZLMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-16-8-15-7-10(16)11(17)5-9-3-2-4-12(13,14)6-9/h7-9,11,17H,2-6H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol?
2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 244.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 114224502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).