[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate

C10H10F3NO4S — CID 18674533

IUPAC[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate
SMILESCOc1ccc(/C(=N/OS(C)(=O)=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO4S/c1-17-8-5-3-7(4-6-8)9(10(11,12)13)14-18-19(2,15)16/h3-6H,1-2H3/b14-9-
InChIKeyPRPZOGLXCJEWGH-ZROIWOOFSA-N
MW297.25 g/mol
LogP1.94
Rot. Bonds4

About [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate

[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate (PubChem CID 18674533) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate.

Molecular Properties

Compound Name[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate
PubChem CID18674533
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate
SMILESCOc1ccc(/C(=N/OS(C)(=O)=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO4S/c1-17-8-5-3-7(4-6-8)9(10(11,12)13)14-18-19(2,15)16/h3-6H,1-2H3/b14-9-
InChIKeyPRPZOGLXCJEWGH-ZROIWOOFSA-N
XLogP1.94
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
Ethanone,1,1'-(1,3-propanediylbis(oxy-4,1-phenylene))bis(2,2,2-trifluoro-,1,1'-bis(O-(propylsulfonyl)oxime)
CID 73883621
(S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(4-(4,4,4-trifluorobutoxy) phenyl)ethylidene)propane-2-sulfinamide
CID 117719625
(NE)-N-[(E)-4-(4-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 12470141
(4-Methoxyphenyl)ethanone oxime
CID 96007
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 5734904
(3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methanethiol
CID 10867918
(R/S)-5-Methanesulfonyl-3-(4-methoxy-phenyl)-4,5-dihydro-isoxazole
CID 10999644
(R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5-sulfonic acid amide
CID 11043347
(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 70683246

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate?
The IUPAC name of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate (CID 18674533) is [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate.
What is the SMILES notation for [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate?
The canonical SMILES for [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate is COc1ccc(/C(=N/OS(C)(=O)=O)C(F)(F)F)cc1.
What is the InChIKey of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate?
The InChIKey is PRPZOGLXCJEWGH-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-17-8-5-3-7(4-6-8)9(10(11,12)13)14-18-19(2,15)16/h3-6H,1-2H3/b14-9-.
What are the key properties of [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate?
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate has a molecular weight of 297.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] methanesulfonate is sourced from PubChem (CID 18674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).