9-isocyanato-9H-fluorene

C14H9NO — CID 3673441

IUPAC9-isocyanato-9H-fluorene
SMILESO=C=NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H9NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H
InChIKeyZCUDVRDYVSFUTC-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.09
Rot. Bonds1

About 9-isocyanato-9H-fluorene

9-isocyanato-9H-fluorene (PubChem CID 3673441) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 9-isocyanato-9H-fluorene.

Molecular Properties

Compound Name9-isocyanato-9H-fluorene
PubChem CID3673441
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name9-isocyanato-9H-fluorene
SMILESO=C=NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H9NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H
InChIKeyZCUDVRDYVSFUTC-UHFFFAOYSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-isocyanato-9H-fluorene?
The IUPAC name of 9-isocyanato-9H-fluorene (CID 3673441) is 9-isocyanato-9H-fluorene.
What is the SMILES notation for 9-isocyanato-9H-fluorene?
The canonical SMILES for 9-isocyanato-9H-fluorene is O=C=NC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-isocyanato-9H-fluorene?
The InChIKey is ZCUDVRDYVSFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H.
What are the key properties of 9-isocyanato-9H-fluorene?
9-isocyanato-9H-fluorene has a molecular weight of 207.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isocyanato-9H-fluorene is sourced from PubChem (CID 3673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).