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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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).