2-(9H-fluoren-2-yl)ethyl formate

C16H14O2 — CID 18001052

IUPAC2-(9H-fluoren-2-yl)ethyl formate
SMILESO=COCCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H14O2/c17-11-18-8-7-12-5-6-16-14(9-12)10-13-3-1-2-4-15(13)16/h1-6,9,11H,7-8,10H2
InChIKeyJCJLFCRBPUPLJB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.97
Rot. Bonds4

About 2-(9H-fluoren-2-yl)ethyl formate

2-(9H-fluoren-2-yl)ethyl formate (PubChem CID 18001052) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)ethyl formate
PubChem CID18001052
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-(9H-fluoren-2-yl)ethyl formate
SMILESO=COCCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H14O2/c17-11-18-8-7-12-5-6-16-14(9-12)10-13-3-1-2-4-15(13)16/h1-6,9,11H,7-8,10H2
InChIKeyJCJLFCRBPUPLJB-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-yl)ethyl formate?
The IUPAC name of 2-(9H-fluoren-2-yl)ethyl formate (CID 18001052) is 2-(9H-fluoren-2-yl)ethyl formate.
What is the SMILES notation for 2-(9H-fluoren-2-yl)ethyl formate?
The canonical SMILES for 2-(9H-fluoren-2-yl)ethyl formate is O=COCCc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-yl)ethyl formate?
The InChIKey is JCJLFCRBPUPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-11-18-8-7-12-5-6-16-14(9-12)10-13-3-1-2-4-15(13)16/h1-6,9,11H,7-8,10H2.
What are the key properties of 2-(9H-fluoren-2-yl)ethyl formate?
2-(9H-fluoren-2-yl)ethyl formate has a molecular weight of 238.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-yl)ethyl formate is sourced from PubChem (CID 18001052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).