2-isocyanato-9H-fluorene

C14H9NO — CID 4118622

IUPAC2-isocyanato-9H-fluorene
SMILESO=C=Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H9NO/c16-9-15-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2
InChIKeyHJROCLJFUOYQNP-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.23
Rot. Bonds1

About 2-isocyanato-9H-fluorene

2-isocyanato-9H-fluorene (PubChem CID 4118622) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-isocyanato-9H-fluorene.

Molecular Properties

Compound Name2-isocyanato-9H-fluorene
PubChem CID4118622
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name2-isocyanato-9H-fluorene
SMILESO=C=Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H9NO/c16-9-15-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2
InChIKeyHJROCLJFUOYQNP-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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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Related Compounds

carbon dioxide;9H-fluorene;methane
CID 158285860
9H-fluorene;oxophosphane
CID 174601741
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
4-isocyanato-1-(4-isocyanatophenyl)-2-(2-phenylphenyl)benzene
CID 141254603
9H-fluorene;oxozirconium
CID 174355249
chromium;9H-fluorene
CID 161167703
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
5-isocyanato-2-methyl-1,3-dihydroisoindole
CID 83914701
9H-fluorene;formic acid
CID 175878260
6-isocyanato-2,3-dihydro-1-benzofuran
CID 83914245

Frequently Asked Questions

What is the IUPAC name of 2-isocyanato-9H-fluorene?
The IUPAC name of 2-isocyanato-9H-fluorene (CID 4118622) is 2-isocyanato-9H-fluorene.
What is the SMILES notation for 2-isocyanato-9H-fluorene?
The canonical SMILES for 2-isocyanato-9H-fluorene is O=C=Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-isocyanato-9H-fluorene?
The InChIKey is HJROCLJFUOYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-9-15-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2.
What are the key properties of 2-isocyanato-9H-fluorene?
2-isocyanato-9H-fluorene has a molecular weight of 207.23 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanato-9H-fluorene is sourced from PubChem (CID 4118622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).