(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine

C3HF4I2N — CID 163993547

IUPAC(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine
SMILESF/C(=C/C(F)(F)F)N(I)I
InChIInChI=1S/C3HF4I2N/c4-2(10(8)9)1-3(5,6)7/h1H/b2-1-
InChIKeyUCRXCYFUNYYMDA-UPHRSURJSA-N
MW380.85 g/mol
LogP3.36
Rot. Bonds1

About (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine

(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine (PubChem CID 163993547) has the molecular formula C3HF4I2N and a molecular weight of 380.85 g/mol. Its IUPAC name is (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine
PubChem CID163993547
Molecular FormulaC3HF4I2N
Molecular Weight380.85 g/mol
Exact Mass380.81
IUPAC Name(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine
SMILESF/C(=C/C(F)(F)F)N(I)I
InChIInChI=1S/C3HF4I2N/c4-2(10(8)9)1-3(5,6)7/h1H/b2-1-
InChIKeyUCRXCYFUNYYMDA-UPHRSURJSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine?
The IUPAC name of (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine (CID 163993547) is (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine.
What is the SMILES notation for (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine?
The canonical SMILES for (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine is F/C(=C/C(F)(F)F)N(I)I.
What is the InChIKey of (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine?
The InChIKey is UCRXCYFUNYYMDA-UPHRSURJSA-N. The full InChI is InChI=1S/C3HF4I2N/c4-2(10(8)9)1-3(5,6)7/h1H/b2-1-.
What are the key properties of (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine?
(E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine has a molecular weight of 380.85 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3,3,3-tetrafluoro-N,N-diiodoprop-1-en-1-amine is sourced from PubChem (CID 163993547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).