(Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine

C8H13F3IN — CID 88909555

IUPAC(Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
SMILESCC/C=C\CCC(NI)C(F)(F)F
InChIInChI=1S/C8H13F3IN/c1-2-3-4-5-6-7(13-12)8(9,10)11/h3-4,7,13H,2,5-6H2,1H3/b4-3-
InChIKeyPDOJEZVECCQARI-ARJAWSKDSA-N
MW307.10 g/mol
LogP3.60
Rot. Bonds5

About (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine

(Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine (PubChem CID 88909555) has the molecular formula C8H13F3IN and a molecular weight of 307.10 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
PubChem CID88909555
Molecular FormulaC8H13F3IN
Molecular Weight307.10 g/mol
Exact Mass307.00
IUPAC Name(Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
SMILESCC/C=C\CCC(NI)C(F)(F)F
InChIInChI=1S/C8H13F3IN/c1-2-3-4-5-6-7(13-12)8(9,10)11/h3-4,7,13H,2,5-6H2,1H3/b4-3-
InChIKeyPDOJEZVECCQARI-ARJAWSKDSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine (CID 88909555) is (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine is CC/C=C\CCC(NI)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
The InChIKey is PDOJEZVECCQARI-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H13F3IN/c1-2-3-4-5-6-7(13-12)8(9,10)11/h3-4,7,13H,2,5-6H2,1H3/b4-3-.
What are the key properties of (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine?
(Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine has a molecular weight of 307.10 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N-iodooct-5-en-2-amine is sourced from PubChem (CID 88909555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).