9H-fluoren-1-ylmethyl carbonochloridate

C15H11ClO2 — CID 14261773

IUPAC9H-fluoren-1-ylmethyl carbonochloridate
SMILESO=C(Cl)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H11ClO2/c16-15(17)18-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8-9H2
InChIKeyLQVMZVKOVPITOO-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.13
Rot. Bonds2

About 9H-fluoren-1-ylmethyl carbonochloridate

9H-fluoren-1-ylmethyl carbonochloridate (PubChem CID 14261773) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl carbonochloridate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl carbonochloridate
PubChem CID14261773
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name9H-fluoren-1-ylmethyl carbonochloridate
SMILESO=C(Cl)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H11ClO2/c16-15(17)18-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8-9H2
InChIKeyLQVMZVKOVPITOO-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl carbonochloridate?
The IUPAC name of 9H-fluoren-1-ylmethyl carbonochloridate (CID 14261773) is 9H-fluoren-1-ylmethyl carbonochloridate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl carbonochloridate?
The canonical SMILES for 9H-fluoren-1-ylmethyl carbonochloridate is O=C(Cl)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-ylmethyl carbonochloridate?
The InChIKey is LQVMZVKOVPITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-15(17)18-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8-9H2.
What are the key properties of 9H-fluoren-1-ylmethyl carbonochloridate?
9H-fluoren-1-ylmethyl carbonochloridate has a molecular weight of 258.70 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl carbonochloridate is sourced from PubChem (CID 14261773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).