2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid

C7H8F2N2O2 — CID 84771354

IUPAC2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
SMILESCn1c(CC(=O)O)cnc1C(F)F
InChIInChI=1S/C7H8F2N2O2/c1-11-4(2-5(12)13)3-10-7(11)6(8)9/h3,6H,2H2,1H3,(H,12,13)
InChIKeySJPFPFJSDNTHOB-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.98
Rot. Bonds3

About 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid

2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid (PubChem CID 84771354) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
PubChem CID84771354
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
SMILESCn1c(CC(=O)O)cnc1C(F)F
InChIInChI=1S/C7H8F2N2O2/c1-11-4(2-5(12)13)3-10-7(11)6(8)9/h3,6H,2H2,1H3,(H,12,13)
InChIKeySJPFPFJSDNTHOB-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
CID 83821721
2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780075
2-(1-methyl-2,3-dihydroimidazo[1,2-a]imidazol-5-yl)acetic acid
CID 82408472
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
2-[3-(2-methylpropyl)-2-(trifluoromethyl)imidazol-4-yl]acetic acid
CID 83825395
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062252
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
CID 83848568
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
1-[5-(difluoromethyl)-1-methylimidazol-2-yl]ethanone
CID 84766585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid (CID 84771354) is 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid is Cn1c(CC(=O)O)cnc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid?
The InChIKey is SJPFPFJSDNTHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-11-4(2-5(12)13)3-10-7(11)6(8)9/h3,6H,2H2,1H3,(H,12,13).
What are the key properties of 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid?
2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid has a molecular weight of 190.15 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid is sourced from PubChem (CID 84771354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).