1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide

C14H8F6N4O2 — CID 138620273

IUPAC1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide
SMILESO=C(NNc1cc(F)c(F)cc1F)C(=O)NNc1cc(F)c(F)cc1F
InChIInChI=1S/C14H8F6N4O2/c15-5-1-9(19)11(3-7(5)17)21-23-13(25)14(26)24-22-12-4-8(18)6(16)2-10(12)20/h1-4,21-22H,(H,23,25)(H,24,26)
InChIKeySJAOMJSOYFEKJN-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.11
Rot. Bonds4

About 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide

1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide (PubChem CID 138620273) has the molecular formula C14H8F6N4O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide.

Molecular Properties

Compound Name1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide
PubChem CID138620273
Molecular FormulaC14H8F6N4O2
Molecular Weight378.23 g/mol
Exact Mass378.06
IUPAC Name1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide
SMILESO=C(NNc1cc(F)c(F)cc1F)C(=O)NNc1cc(F)c(F)cc1F
InChIInChI=1S/C14H8F6N4O2/c15-5-1-9(19)11(3-7(5)17)21-23-13(25)14(26)24-22-12-4-8(18)6(16)2-10(12)20/h1-4,21-22H,(H,23,25)(H,24,26)
InChIKeySJAOMJSOYFEKJN-UHFFFAOYSA-N
XLogP2.11
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
2-bromo-N-(2,4,5-trifluorophenyl)acetamide
CID 63678606
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 104936943
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
(Z)-2-methyl-4-(2,4,5-trifluoroanilino)but-2-enoic acid
CID 103249547
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758
2,2-dimethyl-3-(2,4,5-trifluoroanilino)propanoic acid
CID 79624686
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide?
The IUPAC name of 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide (CID 138620273) is 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide.
What is the SMILES notation for 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide?
The canonical SMILES for 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide is O=C(NNc1cc(F)c(F)cc1F)C(=O)NNc1cc(F)c(F)cc1F.
What is the InChIKey of 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide?
The InChIKey is SJAOMJSOYFEKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O2/c15-5-1-9(19)11(3-7(5)17)21-23-13(25)14(26)24-22-12-4-8(18)6(16)2-10(12)20/h1-4,21-22H,(H,23,25)(H,24,26).
What are the key properties of 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide?
1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide has a molecular weight of 378.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide is sourced from PubChem (CID 138620273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).