2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane

C17H15BrO2 — CID 21313220

IUPAC2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane
SMILESBrCC1(c2ccc3c(c2)Cc2ccccc2-3)OCCO1
InChIInChI=1S/C17H15BrO2/c18-11-17(19-7-8-20-17)14-5-6-16-13(10-14)9-12-3-1-2-4-15(12)16/h1-6,10H,7-9,11H2
InChIKeyPTOYHZNVRQUIKP-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.85
Rot. Bonds2

About 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane

2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane (PubChem CID 21313220) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane
PubChem CID21313220
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane
SMILESBrCC1(c2ccc3c(c2)Cc2ccccc2-3)OCCO1
InChIInChI=1S/C17H15BrO2/c18-11-17(19-7-8-20-17)14-5-6-16-13(10-14)9-12-3-1-2-4-15(12)16/h1-6,10H,7-9,11H2
InChIKeyPTOYHZNVRQUIKP-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane (CID 21313220) is 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane is BrCC1(c2ccc3c(c2)Cc2ccccc2-3)OCCO1.
What is the InChIKey of 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane?
The InChIKey is PTOYHZNVRQUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-11-17(19-7-8-20-17)14-5-6-16-13(10-14)9-12-3-1-2-4-15(12)16/h1-6,10H,7-9,11H2.
What are the key properties of 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane?
2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane has a molecular weight of 331.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(9H-fluoren-2-yl)-1,3-dioxolane is sourced from PubChem (CID 21313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).