3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide

C8H14F3N3 — CID 103370522

IUPAC3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c9-8(10,11)6(7(12)13)5-14-3-1-2-4-14/h6H,1-5H2,(H3,12,13)
InChIKeyLTPKAXWTMGVPSL-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.20
Rot. Bonds3

About 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide

3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide (PubChem CID 103370522) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide
PubChem CID103370522
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c9-8(10,11)6(7(12)13)5-14-3-1-2-4-14/h6H,1-5H2,(H3,12,13)
InChIKeyLTPKAXWTMGVPSL-UHFFFAOYSA-N
XLogP1.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.20
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-(pyrrolidin-1-ylmethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide (CID 103370522) is 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide is [H]/N=C(\N)C(CN1CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide?
The InChIKey is LTPKAXWTMGVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c9-8(10,11)6(7(12)13)5-14-3-1-2-4-14/h6H,1-5H2,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide?
3,3,3-trifluoro-2-(pyrrolidin-1-ylmethyl)propanimidamide has a molecular weight of 209.21 g/mol, XLogP of 1.20, 3 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-(pyrrolidin-1-ylmethyl)propanimidamide is sourced from PubChem (CID 103370522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).