9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride

C15H12Cl2O2 — CID 87161132

IUPAC9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
SMILESCl.O=C(Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11ClO2.ClH/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;/h1-8,14H,9H2;1H
InChIKeyFICHMIPLEMPHSE-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.60
Rot. Bonds2

About 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride

9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride (PubChem CID 87161132) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
PubChem CID87161132
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
SMILESCl.O=C(Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11ClO2.ClH/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;/h1-8,14H,9H2;1H
InChIKeyFICHMIPLEMPHSE-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
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9H-fluoren-9-ylmethyl carbonofluoridate
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9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(2-bromo-1H-inden-1-yl)methyl carbonochloridate
CID 23326037
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
CID 23573686
CID 23573686

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride (CID 87161132) is 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride is Cl.O=C(Cl)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride?
The InChIKey is FICHMIPLEMPHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2.ClH/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;/h1-8,14H,9H2;1H.
What are the key properties of 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride?
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride has a molecular weight of 295.17 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride is sourced from PubChem (CID 87161132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).