9H-fluoren-9-ylmethyl carbonofluoridate

C15H11FO2 — CID 10131014

IUPAC9H-fluoren-9-ylmethyl carbonofluoridate
SMILESO=C(F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11FO2/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
InChIKeyMMFDZMQPYZNPNV-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.90
Rot. Bonds2

About 9H-fluoren-9-ylmethyl carbonofluoridate

9H-fluoren-9-ylmethyl carbonofluoridate (PubChem CID 10131014) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl carbonofluoridate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl carbonofluoridate
PubChem CID10131014
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name9H-fluoren-9-ylmethyl carbonofluoridate
SMILESO=C(F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11FO2/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
InChIKeyMMFDZMQPYZNPNV-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.90
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 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
CID 23573686
CID 23573686

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl carbonofluoridate?
The IUPAC name of 9H-fluoren-9-ylmethyl carbonofluoridate (CID 10131014) is 9H-fluoren-9-ylmethyl carbonofluoridate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl carbonofluoridate?
The canonical SMILES for 9H-fluoren-9-ylmethyl carbonofluoridate is O=C(F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl carbonofluoridate?
The InChIKey is MMFDZMQPYZNPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/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.
What are the key properties of 9H-fluoren-9-ylmethyl carbonofluoridate?
9H-fluoren-9-ylmethyl carbonofluoridate has a molecular weight of 242.25 g/mol, XLogP of 3.90, 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 carbonofluoridate is sourced from PubChem (CID 10131014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).