(E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine

C5H9FIN — CID 139401899

IUPAC(E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine
SMILESC/C(I)=C\NC(C)F
InChIInChI=1S/C5H9FIN/c1-4(7)3-8-5(2)6/h3,5,8H,1-2H3/b4-3+
InChIKeyFXJFNGPKEBPQOZ-ONEGZZNKSA-N
MW229.04 g/mol
LogP2.19
Rot. Bonds2

About (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine

(E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine (PubChem CID 139401899) has the molecular formula C5H9FIN and a molecular weight of 229.04 g/mol. Its IUPAC name is (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine
PubChem CID139401899
Molecular FormulaC5H9FIN
Molecular Weight229.04 g/mol
Exact Mass228.98
IUPAC Name(E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine
SMILESC/C(I)=C\NC(C)F
InChIInChI=1S/C5H9FIN/c1-4(7)3-8-5(2)6/h3,5,8H,1-2H3/b4-3+
InChIKeyFXJFNGPKEBPQOZ-ONEGZZNKSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine?
The IUPAC name of (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine (CID 139401899) is (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine.
What is the SMILES notation for (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine?
The canonical SMILES for (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine is C/C(I)=C\NC(C)F.
What is the InChIKey of (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine?
The InChIKey is FXJFNGPKEBPQOZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9FIN/c1-4(7)3-8-5(2)6/h3,5,8H,1-2H3/b4-3+.
What are the key properties of (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine?
(E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine has a molecular weight of 229.04 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-fluoroethyl)-2-iodoprop-1-en-1-amine is sourced from PubChem (CID 139401899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).