N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine

C14H15F6N3O2 — CID 88569176

IUPACN-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
SMILESC=C(NNc1cccc2c1OCCO2)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H15F6N3O2/c1-8(21-12(2,13(15,16)17)14(18,19)20)22-23-9-4-3-5-10-11(9)25-7-6-24-10/h3-5,21-23H,1,6-7H2,2H3
InChIKeyOUABXDKGOBCGPD-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.32
Rot. Bonds5

About N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine

N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine (PubChem CID 88569176) has the molecular formula C14H15F6N3O2 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
PubChem CID88569176
Molecular FormulaC14H15F6N3O2
Molecular Weight371.28 g/mol
Exact Mass371.11
IUPAC NameN-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
SMILESC=C(NNc1cccc2c1OCCO2)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H15F6N3O2/c1-8(21-12(2,13(15,16)17)14(18,19)20)22-23-9-4-3-5-10-11(9)25-7-6-24-10/h3-5,21-23H,1,6-7H2,2H3
InChIKeyOUABXDKGOBCGPD-UHFFFAOYSA-N
XLogP3.32
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-5-amine;hydrochloride
CID 115587292
N'-(2,3-dihydro-1,4-benzodioxin-5-yl)ethane-1,2-diamine
CID 53433622
4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 56816667
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
CID 75496224
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077609
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pentan-1-ol
CID 111770367
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
N-butan-2-yl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 115919038
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86779974
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
The IUPAC name of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine (CID 88569176) is N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
The canonical SMILES for N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine is C=C(NNc1cccc2c1OCCO2)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
The InChIKey is OUABXDKGOBCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N3O2/c1-8(21-12(2,13(15,16)17)14(18,19)20)22-23-9-4-3-5-10-11(9)25-7-6-24-10/h3-5,21-23H,1,6-7H2,2H3.
What are the key properties of N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine has a molecular weight of 371.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine is sourced from PubChem (CID 88569176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).