2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine

C7H7F3INS — CID 162578591

IUPAC2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
SMILESCC1C=CSC1C(=NI)C(F)(F)F
InChIInChI=1S/C7H7F3INS/c1-4-2-3-13-5(4)6(12-11)7(8,9)10/h2-5H,1H3
InChIKeyIAVJWHKKKIUVSM-UHFFFAOYSA-N
MW321.11 g/mol
LogP3.60
Rot. Bonds1

About 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine

2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine (PubChem CID 162578591) has the molecular formula C7H7F3INS and a molecular weight of 321.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
PubChem CID162578591
Molecular FormulaC7H7F3INS
Molecular Weight321.11 g/mol
Exact Mass320.93
IUPAC Name2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
SMILESCC1C=CSC1C(=NI)C(F)(F)F
InChIInChI=1S/C7H7F3INS/c1-4-2-3-13-5(4)6(12-11)7(8,9)10/h2-5H,1H3
InChIKeyIAVJWHKKKIUVSM-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine (CID 162578591) is 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine is CC1C=CSC1C(=NI)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
The InChIKey is IAVJWHKKKIUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3INS/c1-4-2-3-13-5(4)6(12-11)7(8,9)10/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine?
2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine has a molecular weight of 321.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-iodo-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine is sourced from PubChem (CID 162578591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).