3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid

C7H9F4NO2 — CID 165462116

IUPAC3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CNCC1CC1(F)F
InChIInChI=1S/C7H9F4NO2/c8-6(9)1-4(6)2-12-3-7(10,11)5(13)14/h4,12H,1-3H2,(H,13,14)
InChIKeyVGORAUJHJVFHSL-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.95
Rot. Bonds5

About 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid

3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid (PubChem CID 165462116) has the molecular formula C7H9F4NO2 and a molecular weight of 215.15 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid
PubChem CID165462116
Molecular FormulaC7H9F4NO2
Molecular Weight215.15 g/mol
Exact Mass215.06
IUPAC Name3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CNCC1CC1(F)F
InChIInChI=1S/C7H9F4NO2/c8-6(9)1-4(6)2-12-3-7(10,11)5(13)14/h4,12H,1-3H2,(H,13,14)
InChIKeyVGORAUJHJVFHSL-UHFFFAOYSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-3-[[(E)-4-hydroxybut-2-enyl]amino]propanoic acid
CID 165466406
1-[(1R)-2,2-difluorocyclopropyl]-N-phosphanylmethanamine
CID 174192847
2-(2,2-difluorocyclopropyl)acetyl chloride
CID 14458504
methyl 2-(2,2-difluorocyclopropyl)acetate
CID 146229342
2,2-difluoro-3-[(3-hydroxy-2-methylpropyl)amino]propanoic acid
CID 165464133
3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid
CID 165464288
2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
CID 165466451
2,2-difluoro-3-(2-methylsulfinylpropylamino)propanoic acid
CID 165461786
3-[[(1S)-2,2-difluorocyclopropyl]methylsulfanyl]propanoic acid
CID 129408589
4-(adamantane-1-carbonyloxy)-2,2-difluorobutanoic acid
CID 170225372
2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
CID 165464166
N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine
CID 170967540

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid (CID 165462116) is 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid is O=C(O)C(F)(F)CNCC1CC1(F)F.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid?
The InChIKey is VGORAUJHJVFHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO2/c8-6(9)1-4(6)2-12-3-7(10,11)5(13)14/h4,12H,1-3H2,(H,13,14).
What are the key properties of 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid?
3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid has a molecular weight of 215.15 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methylamino]-2,2-difluoropropanoic acid is sourced from PubChem (CID 165462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).