(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate

C6H7F3NO3S- — CID 155621339

IUPAC(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
SMILESC=CCC/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3S/c1-2-3-4-5(11)10-14(12,13)6(7,8)9/h2H,1,3-4H2,(H,10,11)/p-1
InChIKeyHGOHVZONJHCSDW-UHFFFAOYSA-M
MW230.19 g/mol
LogP0.56
Rot. Bonds4

About (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate

(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate (PubChem CID 155621339) has the molecular formula C6H7F3NO3S- and a molecular weight of 230.19 g/mol. Its IUPAC name is (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate.

Molecular Properties

Compound Name(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
PubChem CID155621339
Molecular FormulaC6H7F3NO3S-
Molecular Weight230.19 g/mol
Exact Mass230.01
IUPAC Name(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
SMILESC=CCC/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3S/c1-2-3-4-5(11)10-14(12,13)6(7,8)9/h2H,1,3-4H2,(H,10,11)/p-1
InChIKeyHGOHVZONJHCSDW-UHFFFAOYSA-M
XLogP0.56
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
CID 155621370
(E,1Z)-N-(trifluoromethylsulfonyl)octadec-9-enimidate
CID 155621297
(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
CID 155621357
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
prop-2-enyl trifluoromethanesulfonate;silane
CID 174615184
(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
CID 155621363
(1Z)-6-(3-ethylimidazol-1-ium-1-yl)-N-(trifluoromethylsulfonyl)hexanimidate
CID 177480230
N-(trifluoromethylsulfonyl)nonadec-18-enamide
CID 154028090
aluminum tris(3-oxohept-6-enoate)
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lithium dec-9-enoate
CID 23716774

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate?
The IUPAC name of (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate (CID 155621339) is (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate.
What is the SMILES notation for (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate?
The canonical SMILES for (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate is C=CCC/C([O-])=N/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate?
The InChIKey is HGOHVZONJHCSDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8F3NO3S/c1-2-3-4-5(11)10-14(12,13)6(7,8)9/h2H,1,3-4H2,(H,10,11)/p-1.
What are the key properties of (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate?
(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate has a molecular weight of 230.19 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate is sourced from PubChem (CID 155621339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).