ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate

C12H12F3NO2 — CID 165342758

IUPACethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H12F3NO2/c1-2-18-10(17)11(6-7-11)8-4-3-5-9(16-8)12(13,14)15/h3-5H,2,6-7H2,1H3
InChIKeyRNZKVJXHXMZCOT-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.70
Rot. Bonds3

About ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate

ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate (PubChem CID 165342758) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
PubChem CID165342758
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Nameethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H12F3NO2/c1-2-18-10(17)11(6-7-11)8-4-3-5-9(16-8)12(13,14)15/h3-5H,2,6-7H2,1H3
InChIKeyRNZKVJXHXMZCOT-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 4-O-ethyl 4-(6-bromo-2-pyridinyl)piperidine-1,4-dicarboxylate
CID 89285207
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 163745925
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
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CID 79471310
1-O-tert-butyl 3-O-ethyl 3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]piperidine-1,3-dicarboxylate
CID 167488462
3-[6-(trifluoromethyl)-2-pyridinyl]bicyclo[1.1.1]pentan-1-amine
CID 142474662
ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
CID 105438633
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818
ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79472791

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate (CID 165342758) is ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
The InChIKey is RNZKVJXHXMZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-2-18-10(17)11(6-7-11)8-4-3-5-9(16-8)12(13,14)15/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate has a molecular weight of 259.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 165342758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).