ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate

C14H19F3N2O2 — CID 170316912

IUPACethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C14H19F3N2O2/c1-3-21-13(20)10-6-4-9(5-7-10)12-18-11(8-19(12)2)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeySKYOGOJSUXXLRV-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.28
Rot. Bonds3

About ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate

ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 170316912) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate
PubChem CID170316912
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Nameethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C14H19F3N2O2/c1-3-21-13(20)10-6-4-9(5-7-10)12-18-11(8-19(12)2)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeySKYOGOJSUXXLRV-UHFFFAOYSA-N
XLogP3.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86716190
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate (CID 170316912) is ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2nc(C(F)(F)F)cn2C)CC1.
What is the InChIKey of ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is SKYOGOJSUXXLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-21-13(20)10-6-4-9(5-7-10)12-18-11(8-19(12)2)14(15,16)17/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate?
ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 170316912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).