methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate

C7H7F3N2O2 — CID 82561148

IUPACmethyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-14-5(13)4-12-3-2-11-6(12)7(8,9)10/h2-3H,4H2,1H3
InChIKeySSRUBAZCEDPYJV-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate

methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate (PubChem CID 82561148) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
PubChem CID82561148
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Namemethyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-14-5(13)4-12-3-2-11-6(12)7(8,9)10/h2-3H,4H2,1H3
InChIKeySSRUBAZCEDPYJV-UHFFFAOYSA-N
XLogP1.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
CID 82561230
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate
CID 56865415
methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]acetate
CID 82558676
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
tert-butyl 2-(2-bromoimidazol-1-yl)acetate
CID 155977843

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate (CID 82561148) is methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate is COC(=O)Cn1ccnc1C(F)(F)F.
What is the InChIKey of methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate?
The InChIKey is SSRUBAZCEDPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-14-5(13)4-12-3-2-11-6(12)7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate?
methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate has a molecular weight of 208.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate is sourced from PubChem (CID 82561148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).