(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine

C6H7F3INO — CID 162563888

IUPAC(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine
SMILESCO/C(C)=C\C(=NI)C(F)(F)F
InChIInChI=1S/C6H7F3INO/c1-4(12-2)3-5(11-10)6(7,8)9/h3H,1-2H3/b4-3-,11-5?
InChIKeyAMCPWAIPXNRXDG-BUJZCANNSA-N
MW293.03 g/mol
LogP2.89
Rot. Bonds2

About (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine

(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine (PubChem CID 162563888) has the molecular formula C6H7F3INO and a molecular weight of 293.03 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine
PubChem CID162563888
Molecular FormulaC6H7F3INO
Molecular Weight293.03 g/mol
Exact Mass292.95
IUPAC Name(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine
SMILESCO/C(C)=C\C(=NI)C(F)(F)F
InChIInChI=1S/C6H7F3INO/c1-4(12-2)3-5(11-10)6(7,8)9/h3H,1-2H3/b4-3-,11-5?
InChIKeyAMCPWAIPXNRXDG-BUJZCANNSA-N
XLogP2.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.03
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 59782164
(Z)-1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 59782224
1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560388
1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560400
(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 89226253

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine (CID 162563888) is (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine is CO/C(C)=C\C(=NI)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine?
The InChIKey is AMCPWAIPXNRXDG-BUJZCANNSA-N. The full InChI is InChI=1S/C6H7F3INO/c1-4(12-2)3-5(11-10)6(7,8)9/h3H,1-2H3/b4-3-,11-5?.
What are the key properties of (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine?
(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine has a molecular weight of 293.03 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine is sourced from PubChem (CID 162563888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).