2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole

C13H14F4N2O2 — CID 143735080

IUPAC2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole
SMILESCOCC(Oc1cccc(C(F)(F)F)c1F)C1=NCCN1
InChIInChI=1S/C13H14F4N2O2/c1-20-7-10(12-18-5-6-19-12)21-9-4-2-3-8(11(9)14)13(15,16)17/h2-4,10H,5-7H2,1H3,(H,18,19)
InChIKeyURUHLOUOMLPJCT-UHFFFAOYSA-N
MW306.26 g/mol
LogP2.24
Rot. Bonds5

About 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole

2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole (PubChem CID 143735080) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole
PubChem CID143735080
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole
SMILESCOCC(Oc1cccc(C(F)(F)F)c1F)C1=NCCN1
InChIInChI=1S/C13H14F4N2O2/c1-20-7-10(12-18-5-6-19-12)21-9-4-2-3-8(11(9)14)13(15,16)17/h2-4,10H,5-7H2,1H3,(H,18,19)
InChIKeyURUHLOUOMLPJCT-UHFFFAOYSA-N
XLogP2.24
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454827
2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole
CID 54217279
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
CID 163084362
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 24906198
2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole
CID 55286461
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole (CID 143735080) is 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole is COCC(Oc1cccc(C(F)(F)F)c1F)C1=NCCN1.
What is the InChIKey of 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is URUHLOUOMLPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-20-7-10(12-18-5-6-19-12)21-9-4-2-3-8(11(9)14)13(15,16)17/h2-4,10H,5-7H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole?
2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 306.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 143735080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).