[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate

C16H13F3N2O5 — CID 6736418

IUPAC[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C=NNC(=O)c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C16H13F3N2O5/c1-10(22)24-9-14-7-6-13(25-14)8-20-21-15(23)11-2-4-12(5-3-11)26-16(17,18)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyQWSHQKFYBFKNBC-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.01
Rot. Bonds6

About [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate

[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate (PubChem CID 6736418) has the molecular formula C16H13F3N2O5 and a molecular weight of 370.28 g/mol. Its IUPAC name is [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate
PubChem CID6736418
Molecular FormulaC16H13F3N2O5
Molecular Weight370.28 g/mol
Exact Mass370.08
IUPAC Name[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C=NNC(=O)c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C16H13F3N2O5/c1-10(22)24-9-14-7-6-13(25-14)8-20-21-15(23)11-2-4-12(5-3-11)26-16(17,18)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyQWSHQKFYBFKNBC-UHFFFAOYSA-N
XLogP3.01
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate
CID 45109414
2-[4-[(E)-[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 45109462
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
CID 110509442
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide
CID 1225303
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129

Frequently Asked Questions

What is the IUPAC name of [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate (CID 6736418) is [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(C=NNC(=O)c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate?
The InChIKey is QWSHQKFYBFKNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O5/c1-10(22)24-9-14-7-6-13(25-14)8-20-21-15(23)11-2-4-12(5-3-11)26-16(17,18)19/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate?
[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate has a molecular weight of 370.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 6736418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).