2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide

C9H6F3N3O2 — CID 63569285

IUPAC2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide
SMILESN#Cc1c(F)cccc1OC(F)(F)C(=O)NN
InChIInChI=1S/C9H6F3N3O2/c10-6-2-1-3-7(5(6)4-13)17-9(11,12)8(16)15-14/h1-3H,14H2,(H,15,16)
InChIKeyPQAWJVNFIUSZRY-UHFFFAOYSA-N
MW245.16 g/mol
LogP0.66
Rot. Bonds3

About 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide

2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide (PubChem CID 63569285) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide
PubChem CID63569285
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide
SMILESN#Cc1c(F)cccc1OC(F)(F)C(=O)NN
InChIInChI=1S/C9H6F3N3O2/c10-6-2-1-3-7(5(6)4-13)17-9(11,12)8(16)15-14/h1-3H,14H2,(H,15,16)
InChIKeyPQAWJVNFIUSZRY-UHFFFAOYSA-N
XLogP0.66
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyano-3-fluorophenoxy)acetohydrazide
CID 63569107
2-(3-chloro-2-cyanophenoxy)-2,2-difluoroacetic acid
CID 114322410
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
(2-cyano-3-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117096379
2-fluoro-6-(2-methylbutan-2-yloxy)benzonitrile
CID 79513130
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
CID 62034545
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
CID 61264990
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide (CID 63569285) is 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide is N#Cc1c(F)cccc1OC(F)(F)C(=O)NN.
What is the InChIKey of 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide?
The InChIKey is PQAWJVNFIUSZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-6-2-1-3-7(5(6)4-13)17-9(11,12)8(16)15-14/h1-3H,14H2,(H,15,16).
What are the key properties of 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide?
2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide has a molecular weight of 245.16 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 63569285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).