2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid

C8H10F2N2O2 — CID 84672043

IUPAC2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
SMILESCC(F)(F)Cn1cncc1CC(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)4-12-5-11-3-6(12)2-7(13)14/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyRVEAJSSEGPMCTP-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.17
Rot. Bonds4

About 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid

2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid (PubChem CID 84672043) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
PubChem CID84672043
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
SMILESCC(F)(F)Cn1cncc1CC(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)4-12-5-11-3-6(12)2-7(13)14/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyRVEAJSSEGPMCTP-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfonylimidazol-4-yl)acetic acid
CID 83881806
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone
CID 84659610
methyl 2-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methylamino]acetate
CID 178144000
2-[(3-ethylimidazol-4-yl)methylsulfanyl]-2-methylpropanoic acid
CID 81230982
2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
CID 83820777
5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 66149167
2,2-difluoro-3-hydroxy-3-(3-propylimidazol-4-yl)propanoic acid
CID 66131850
2-[2-(3-ethylimidazol-4-yl)phenyl]acetic acid
CID 115037733
5-[(3-ethylimidazol-4-yl)methylamino]-2,4-difluorobenzoic acid
CID 66132571

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid (CID 84672043) is 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid is CC(F)(F)Cn1cncc1CC(=O)O.
What is the InChIKey of 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid?
The InChIKey is RVEAJSSEGPMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-8(9,10)4-12-5-11-3-6(12)2-7(13)14/h3,5H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid?
2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid has a molecular weight of 204.18 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 84672043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).