1-(difluoromethyl)-2-(methoxymethyl)imidazole

C6H8F2N2O — CID 156846999

IUPAC1-(difluoromethyl)-2-(methoxymethyl)imidazole
SMILESCOCc1nccn1C(F)F
InChIInChI=1S/C6H8F2N2O/c1-11-4-5-9-2-3-10(5)6(7)8/h2-3,6H,4H2,1H3
InChIKeyQHAHXIJXZPFYIW-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.42
Rot. Bonds3

About 1-(difluoromethyl)-2-(methoxymethyl)imidazole

1-(difluoromethyl)-2-(methoxymethyl)imidazole (PubChem CID 156846999) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-(methoxymethyl)imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-(methoxymethyl)imidazole
PubChem CID156846999
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-(difluoromethyl)-2-(methoxymethyl)imidazole
SMILESCOCc1nccn1C(F)F
InChIInChI=1S/C6H8F2N2O/c1-11-4-5-9-2-3-10(5)6(7)8/h2-3,6H,4H2,1H3
InChIKeyQHAHXIJXZPFYIW-UHFFFAOYSA-N
XLogP1.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
CID 115714090
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methoxybenzoic acid
CID 43244336
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methoxyphenyl]methanol
CID 43267887
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethoxyaniline
CID 43111998
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115641598

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-(methoxymethyl)imidazole?
The IUPAC name of 1-(difluoromethyl)-2-(methoxymethyl)imidazole (CID 156846999) is 1-(difluoromethyl)-2-(methoxymethyl)imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-(methoxymethyl)imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-(methoxymethyl)imidazole is COCc1nccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-(methoxymethyl)imidazole?
The InChIKey is QHAHXIJXZPFYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-11-4-5-9-2-3-10(5)6(7)8/h2-3,6H,4H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-(methoxymethyl)imidazole?
1-(difluoromethyl)-2-(methoxymethyl)imidazole has a molecular weight of 162.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-(methoxymethyl)imidazole is sourced from PubChem (CID 156846999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).