2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate

C16H16FN3O2 — CID 87121263

IUPAC2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccc1/N=N/c1ccccc1F
InChIInChI=1S/C16H16FN3O2/c1-16(2,22-15(18)21)11-7-3-5-9-13(11)19-20-14-10-6-4-8-12(14)17/h3-10H,1-2H3,(H2,18,21)/b20-19+
InChIKeyNIISAEHSUZKZJB-FMQUCBEESA-N
MW301.32 g/mol
LogP4.57
Rot. Bonds4

About 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate

2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate (PubChem CID 87121263) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate
PubChem CID87121263
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccc1/N=N/c1ccccc1F
InChIInChI=1S/C16H16FN3O2/c1-16(2,22-15(18)21)11-7-3-5-9-13(11)19-20-14-10-6-4-8-12(14)17/h3-10H,1-2H3,(H2,18,21)/b20-19+
InChIKeyNIISAEHSUZKZJB-FMQUCBEESA-N
XLogP4.57
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.57
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 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate?
The IUPAC name of 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate (CID 87121263) is 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate?
The canonical SMILES for 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate is CC(C)(OC(N)=O)c1ccccc1/N=N/c1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate?
The InChIKey is NIISAEHSUZKZJB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-16(2,22-15(18)21)11-7-3-5-9-13(11)19-20-14-10-6-4-8-12(14)17/h3-10H,1-2H3,(H2,18,21)/b20-19+.
What are the key properties of 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate?
2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate has a molecular weight of 301.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate is sourced from PubChem (CID 87121263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).