9H-fluoren-9-ylmethoxy carbonochloridate

C15H11ClO3 — CID 22145274

IUPAC9H-fluoren-9-ylmethoxy carbonochloridate
SMILESO=C(Cl)OOCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11ClO3/c16-15(17)19-18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyFTQGEBZZWAMLJF-UHFFFAOYSA-N
MW274.70 g/mol
LogP4.11
Rot. Bonds3

About 9H-fluoren-9-ylmethoxy carbonochloridate

9H-fluoren-9-ylmethoxy carbonochloridate (PubChem CID 22145274) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethoxy carbonochloridate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethoxy carbonochloridate
PubChem CID22145274
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name9H-fluoren-9-ylmethoxy carbonochloridate
SMILESO=C(Cl)OOCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11ClO3/c16-15(17)19-18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyFTQGEBZZWAMLJF-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
CID 18968177
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
CID 19978427
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethoxy carbonochloridate?
The IUPAC name of 9H-fluoren-9-ylmethoxy carbonochloridate (CID 22145274) is 9H-fluoren-9-ylmethoxy carbonochloridate.
What is the SMILES notation for 9H-fluoren-9-ylmethoxy carbonochloridate?
The canonical SMILES for 9H-fluoren-9-ylmethoxy carbonochloridate is O=C(Cl)OOCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethoxy carbonochloridate?
The InChIKey is FTQGEBZZWAMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-15(17)19-18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2.
What are the key properties of 9H-fluoren-9-ylmethoxy carbonochloridate?
9H-fluoren-9-ylmethoxy carbonochloridate has a molecular weight of 274.70 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethoxy carbonochloridate is sourced from PubChem (CID 22145274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).