[[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite

C7H11F3INS — CID 145333583

IUPAC[[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite
SMILESFC(F)(F)C/C=C/CCCNSI
InChIInChI=1S/C7H11F3INS/c8-7(9,10)5-3-1-2-4-6-12-13-11/h1,3,12H,2,4-6H2/b3-1+
InChIKeyRLWUDFPCKYOMMT-HNQUOIGGSA-N
MW325.14 g/mol
LogP3.86
Rot. Bonds6

About [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite

[[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite (PubChem CID 145333583) has the molecular formula C7H11F3INS and a molecular weight of 325.14 g/mol. Its IUPAC name is [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite.

Molecular Properties

Compound Name[[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite
PubChem CID145333583
Molecular FormulaC7H11F3INS
Molecular Weight325.14 g/mol
Exact Mass324.96
IUPAC Name[[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite
SMILESFC(F)(F)C/C=C/CCCNSI
InChIInChI=1S/C7H11F3INS/c8-7(9,10)5-3-1-2-4-6-12-13-11/h1,3,12H,2,4-6H2/b3-1+
InChIKeyRLWUDFPCKYOMMT-HNQUOIGGSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
CID 90213776
7,7,7-trifluorohept-4-enoic acid
CID 154391646
(E)-8,8,8-trifluoro-N-methyloct-3-en-1-amine
CID 115519682
bis[(E)-6,6,6-trifluorohex-3-enyl] oxalate
CID 162617388
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
CID 162559957
(Z)-4,4,4-trifluorobut-1-en-1-amine
CID 142852189
(E)-1,1,1-trifluoro-2-(trifluoromethyl)non-4-en-2-ol
CID 147960581
azane;4,4,4-trifluorobut-1-ene
CID 166791740
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
(Z)-1,1,1-trifluoro-5-methylhex-3-ene
CID 122660171
5-(trifluoromethyl)undec-7-en-5-ol
CID 71335180
8,8,9,9,9-pentafluoro-1-iodonon-4-ene
CID 74432309

Frequently Asked Questions

What is the IUPAC name of [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite?
The IUPAC name of [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite (CID 145333583) is [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite.
What is the SMILES notation for [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite?
The canonical SMILES for [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite is FC(F)(F)C/C=C/CCCNSI.
What is the InChIKey of [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite?
The InChIKey is RLWUDFPCKYOMMT-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H11F3INS/c8-7(9,10)5-3-1-2-4-6-12-13-11/h1,3,12H,2,4-6H2/b3-1+.
What are the key properties of [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite?
[[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite has a molecular weight of 325.14 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-7,7,7-trifluorohept-4-enyl]amino] thiohypoiodite is sourced from PubChem (CID 145333583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).