N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide

C7H14FN3 — CID 90071800

IUPACN'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide
SMILESC=C(C/N=C(\C)N)NCCF
InChIInChI=1S/C7H14FN3/c1-6(10-4-3-8)5-11-7(2)9/h10H,1,3-5H2,2H3,(H2,9,11)
InChIKeyHWVHUWFBVYDXGP-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.44
Rot. Bonds5

About N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide

N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide (PubChem CID 90071800) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide
PubChem CID90071800
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC NameN'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide
SMILESC=C(C/N=C(\C)N)NCCF
InChIInChI=1S/C7H14FN3/c1-6(10-4-3-8)5-11-7(2)9/h10H,1,3-5H2,2H3,(H2,9,11)
InChIKeyHWVHUWFBVYDXGP-UHFFFAOYSA-N
XLogP0.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.44
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 N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide?
The IUPAC name of N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide (CID 90071800) is N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide?
The canonical SMILES for N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide is C=C(C/N=C(\C)N)NCCF.
What is the InChIKey of N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide?
The InChIKey is HWVHUWFBVYDXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c1-6(10-4-3-8)5-11-7(2)9/h10H,1,3-5H2,2H3,(H2,9,11).
What are the key properties of N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide?
N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide has a molecular weight of 159.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide is sourced from PubChem (CID 90071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).