4-(3-fluoropropyl)morpholine-2-carboximidamide

C8H16FN3O — CID 81106733

IUPAC4-(3-fluoropropyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCCF)CCO1
InChIInChI=1S/C8H16FN3O/c9-2-1-3-12-4-5-13-7(6-12)8(10)11/h7H,1-6H2,(H3,10,11)
InChIKeyXUXNEBCHIWZVNI-UHFFFAOYSA-N
MW189.23 g/mol
LogP-0.02
Rot. Bonds4

About 4-(3-fluoropropyl)morpholine-2-carboximidamide

4-(3-fluoropropyl)morpholine-2-carboximidamide (PubChem CID 81106733) has the molecular formula C8H16FN3O and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(3-fluoropropyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-fluoropropyl)morpholine-2-carboximidamide
PubChem CID81106733
Molecular FormulaC8H16FN3O
Molecular Weight189.23 g/mol
Exact Mass189.13
IUPAC Name4-(3-fluoropropyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCCF)CCO1
InChIInChI=1S/C8H16FN3O/c9-2-1-3-12-4-5-13-7(6-12)8(10)11/h7H,1-6H2,(H3,10,11)
InChIKeyXUXNEBCHIWZVNI-UHFFFAOYSA-N
XLogP-0.02
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3-fluoropropyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(3-fluoropropyl)morpholine-2-carboximidamide (CID 81106733) is 4-(3-fluoropropyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(3-fluoropropyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(3-fluoropropyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CCCF)CCO1.
What is the InChIKey of 4-(3-fluoropropyl)morpholine-2-carboximidamide?
The InChIKey is XUXNEBCHIWZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O/c9-2-1-3-12-4-5-13-7(6-12)8(10)11/h7H,1-6H2,(H3,10,11).
What are the key properties of 4-(3-fluoropropyl)morpholine-2-carboximidamide?
4-(3-fluoropropyl)morpholine-2-carboximidamide has a molecular weight of 189.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)morpholine-2-carboximidamide is sourced from PubChem (CID 81106733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).