2-(4,4-difluoropiperidin-1-yl)ethanimidamide

C7H13F2N3 — CID 164645600

IUPAC2-(4,4-difluoropiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N3/c8-7(9)1-3-12(4-2-7)5-6(10)11/h1-5H2,(H3,10,11)
InChIKeyNRMGNORMBDNVTE-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.65
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)ethanimidamide

2-(4,4-difluoropiperidin-1-yl)ethanimidamide (PubChem CID 164645600) has the molecular formula C7H13F2N3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)ethanimidamide
PubChem CID164645600
Molecular FormulaC7H13F2N3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N3/c8-7(9)1-3-12(4-2-7)5-6(10)11/h1-5H2,(H3,10,11)
InChIKeyNRMGNORMBDNVTE-UHFFFAOYSA-N
XLogP0.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.65
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 2-(4,4-difluoropiperidin-1-yl)ethanimidamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)ethanimidamide (CID 164645600) is 2-(4,4-difluoropiperidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)ethanimidamide?
The InChIKey is NRMGNORMBDNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3/c8-7(9)1-3-12(4-2-7)5-6(10)11/h1-5H2,(H3,10,11).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)ethanimidamide?
2-(4,4-difluoropiperidin-1-yl)ethanimidamide has a molecular weight of 177.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)ethanimidamide is sourced from PubChem (CID 164645600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).