3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine

C7H11F2N3 — CID 83856334

IUPAC3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1C(F)(F)CCN
InChIInChI=1S/C7H11F2N3/c1-12-5-4-11-6(12)7(8,9)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyUQMSYADZBMBZGY-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.86
Rot. Bonds3

About 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine

3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 83856334) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID83856334
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1C(F)(F)CCN
InChIInChI=1S/C7H11F2N3/c1-12-5-4-11-6(12)7(8,9)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyUQMSYADZBMBZGY-UHFFFAOYSA-N
XLogP0.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
2,8-bis(1-methylimidazol-2-yl)nonane-2,8-diol
CID 14040391
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
CID 134042880
2,2-difluoro-2-(1-methylimidazol-2-yl)-N-(1,1,1-trifluoro-3-methylpentan-2-yl)acetamide
CID 138014050
2,2,2-tris(1-methylimidazol-2-yl)acetaldehyde
CID 71676654
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
CID 14531586
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-3-(1-methylimidazol-2-yl)pentanoic acid
CID 96839916
N-(4,4-dimethylpentyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111439436
1,1-dimethyl-2-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine;hydroiodide
CID 119118319
tert-butyl N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]carbamate
CID 97072003

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine (CID 83856334) is 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine is Cn1ccnc1C(F)(F)CCN.
What is the InChIKey of 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is UQMSYADZBMBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-12-5-4-11-6(12)7(8,9)2-3-10/h4-5H,2-3,10H2,1H3.
What are the key properties of 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine?
3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 175.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83856334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).