3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide

C11H20F3N3 — CID 103370774

IUPAC3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC1C(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-7(2)9-4-3-5-17(9)6-8(10(15)16)11(12,13)14/h7-9H,3-6H2,1-2H3,(H3,15,16)
InChIKeyMLLABIUVPIQTGQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds4

About 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide

3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide (PubChem CID 103370774) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide
PubChem CID103370774
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC1C(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-7(2)9-4-3-5-17(9)6-8(10(15)16)11(12,13)14/h7-9H,3-6H2,1-2H3,(H3,15,16)
InChIKeyMLLABIUVPIQTGQ-UHFFFAOYSA-N
XLogP2.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide (CID 103370774) is 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1CCCC1C(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide?
The InChIKey is MLLABIUVPIQTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-7(2)9-4-3-5-17(9)6-8(10(15)16)11(12,13)14/h7-9H,3-6H2,1-2H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide has a molecular weight of 251.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).