[1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate

C17H17F2N3O2 — CID 175968596

IUPAC[1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cccc(/N=N/c2c(F)cccc2F)c1)OC(N)=O
InChIInChI=1S/C17H17F2N3O2/c1-17(2,24-16(20)23)10-11-5-3-6-12(9-11)21-22-15-13(18)7-4-8-14(15)19/h3-9H,10H2,1-2H3,(H2,20,23)/b22-21+
InChIKeySTDUQPACNFODDY-QURGRASLSA-N
MW333.34 g/mol
LogP4.80
Rot. Bonds5

About [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate

[1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 175968596) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID175968596
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name[1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cccc(/N=N/c2c(F)cccc2F)c1)OC(N)=O
InChIInChI=1S/C17H17F2N3O2/c1-17(2,24-16(20)23)10-11-5-3-6-12(9-11)21-22-15-13(18)7-4-8-14(15)19/h3-9H,10H2,1-2H3,(H2,20,23)/b22-21+
InChIKeySTDUQPACNFODDY-QURGRASLSA-N
XLogP4.80
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate (CID 175968596) is [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cccc(/N=N/c2c(F)cccc2F)c1)OC(N)=O.
What is the InChIKey of [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is STDUQPACNFODDY-QURGRASLSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-17(2,24-16(20)23)10-11-5-3-6-12(9-11)21-22-15-13(18)7-4-8-14(15)19/h3-9H,10H2,1-2H3,(H2,20,23)/b22-21+.
What are the key properties of [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate?
[1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 333.34 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(2,6-difluorophenyl)diazenyl]phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 175968596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).