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

C9H13FN2O2 — CID 84775744

IUPAC2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
SMILESCn1c(CC(=O)O)cnc1C(C)(C)F
InChIInChI=1S/C9H13FN2O2/c1-9(2,10)8-11-5-6(12(8)3)4-7(13)14/h5H,4H2,1-3H3,(H,13,14)
InChIKeyWVCIDSWXEUSADY-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.25
Rot. Bonds3

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

2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid (PubChem CID 84775744) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
PubChem CID84775744
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
SMILESCn1c(CC(=O)O)cnc1C(C)(C)F
InChIInChI=1S/C9H13FN2O2/c1-9(2,10)8-11-5-6(12(8)3)4-7(13)14/h5H,4H2,1-3H3,(H,13,14)
InChIKeyWVCIDSWXEUSADY-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine
CID 84766027
2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
CID 84771354
2-[3-(2-methylpropyl)-2-(trifluoromethyl)imidazol-4-yl]acetic acid
CID 83825395
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
CID 83848568
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
CID 83821721
2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
CID 84672043
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-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062252
2-(5-chloro-1-methylimidazol-2-yl)-2,2-difluoroacetic acid;hydrochloride
CID 71757498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid (CID 84775744) is 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid is Cn1c(CC(=O)O)cnc1C(C)(C)F.
What is the InChIKey of 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid?
The InChIKey is WVCIDSWXEUSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-9(2,10)8-11-5-6(12(8)3)4-7(13)14/h5H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid?
2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid has a molecular weight of 200.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid is sourced from PubChem (CID 84775744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).