N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide

C11H12F2N2O3 — CID 171823645

IUPACN'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide
SMILESCC(=O)N(C)NCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C11H12F2N2O3/c1-7(16)15(2)14-6-8-4-3-5-9-10(8)18-11(12,13)17-9/h3-5,14H,6H2,1-2H3
InChIKeyUHUZCWSTQKRIEX-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.49
Rot. Bonds3

About N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide

N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide (PubChem CID 171823645) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide.

Molecular Properties

Compound NameN'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide
PubChem CID171823645
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC NameN'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide
SMILESCC(=O)N(C)NCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C11H12F2N2O3/c1-7(16)15(2)14-6-8-4-3-5-9-10(8)18-11(12,13)17-9/h3-5,14H,6H2,1-2H3
InChIKeyUHUZCWSTQKRIEX-UHFFFAOYSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2-difluoro-1,3-benzodioxol-4-yl)methylcarbamic acid
CID 174208615
(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
CID 11074155
2-chloro-3-[[(2,2-difluoro-1,3-benzodioxol-4-yl)methylamino]methyl]phenol
CID 167991337
2,2-difluoro-4-(isocyanatomethyl)-1,3-benzodioxole
CID 117303476
3-amino-4-[(2,2-difluoro-1,3-benzodioxol-4-yl)methylamino]benzoic acid
CID 130277859
3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 10867678
2-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanethioamide
CID 147511948
1-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-3-spiro[3.3]heptan-2-ylurea
CID 166520386
methyl 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxopropanoate
CID 82665423
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,2,2-trifluoroacetamide
CID 121234944
methyl 3-(cyclobutanecarbonylamino)-4-[(2,2-difluoro-1,3-benzodioxol-4-yl)methylamino]benzoate
CID 130293602
4-bromo-1-N-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]benzene-1,2-diamine
CID 130293579

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide?
The IUPAC name of N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide (CID 171823645) is N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide.
What is the SMILES notation for N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide?
The canonical SMILES for N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide is CC(=O)N(C)NCc1cccc2c1OC(F)(F)O2.
What is the InChIKey of N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide?
The InChIKey is UHUZCWSTQKRIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-7(16)15(2)14-6-8-4-3-5-9-10(8)18-11(12,13)17-9/h3-5,14H,6H2,1-2H3.
What are the key properties of N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide?
N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide has a molecular weight of 258.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide is sourced from PubChem (CID 171823645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).