1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole

C10H13F3N2O — CID 70886727

IUPAC1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole
SMILESCOC(c1cn(CC2CC2)cn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-16-9(10(11,12)13)8-5-15(6-14-8)4-7-2-3-7/h5-7,9H,2-4H2,1H3
InChIKeyFMBVSLSEGPPEHZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.54
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole

1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole (PubChem CID 70886727) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole
PubChem CID70886727
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole
SMILESCOC(c1cn(CC2CC2)cn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-16-9(10(11,12)13)8-5-15(6-14-8)4-7-2-3-7/h5-7,9H,2-4H2,1H3
InChIKeyFMBVSLSEGPPEHZ-UHFFFAOYSA-N
XLogP2.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole (CID 70886727) is 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole is COC(c1cn(CC2CC2)cn1)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
The InChIKey is FMBVSLSEGPPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-9(10(11,12)13)8-5-15(6-14-8)4-7-2-3-7/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole?
1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole has a molecular weight of 234.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(2,2,2-trifluoro-1-methoxyethyl)imidazole is sourced from PubChem (CID 70886727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).