N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide

C11H9F5N2O3 — CID 6386891

IUPACN'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
SMILESC/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)c1ccco1
InChIInChI=1S/C11H9F5N2O3/c1-6(5-8(19)10(12,13)11(14,15)16)17-18-9(20)7-3-2-4-21-7/h2-5,17H,1H3,(H,18,20)/b6-5+
InChIKeyZOSGBHRTPQHYJG-AATRIKPKSA-N
MW312.19 g/mol
LogP2.18
Rot. Bonds5

About N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide

N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide (PubChem CID 6386891) has the molecular formula C11H9F5N2O3 and a molecular weight of 312.19 g/mol. Its IUPAC name is N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
PubChem CID6386891
Molecular FormulaC11H9F5N2O3
Molecular Weight312.19 g/mol
Exact Mass312.05
IUPAC NameN'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
SMILESC/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)c1ccco1
InChIInChI=1S/C11H9F5N2O3/c1-6(5-8(19)10(12,13)11(14,15)16)17-18-9(20)7-3-2-4-21-7/h2-5,17H,1H3,(H,18,20)/b6-5+
InChIKeyZOSGBHRTPQHYJG-AATRIKPKSA-N
XLogP2.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide with MolForge

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Related Compounds

4,4,5,5,5-pentafluoro-1-(furan-2-yl)-1-hydroxypent-1-en-3-one
CID 74687556
N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
CID 6183238
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate
CID 91700723
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide
CID 5369919
N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
CID 9086877
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N-chlorofuran-2-carboxamide
CID 18537247
4-chloro-N'-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-oxodec-2-en-2-yl]benzohydrazide
CID 5372540
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide (CID 6386891) is N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide is C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)c1ccco1.
What is the InChIKey of N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide?
The InChIKey is ZOSGBHRTPQHYJG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H9F5N2O3/c1-6(5-8(19)10(12,13)11(14,15)16)17-18-9(20)7-3-2-4-21-7/h2-5,17H,1H3,(H,18,20)/b6-5+.
What are the key properties of N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide?
N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide has a molecular weight of 312.19 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide is sourced from PubChem (CID 6386891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).