2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane

C17H10F4O2 — CID 172880341

IUPAC2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane
SMILESFc1c(F)c(F)c2c(ccc3c(C4OCCO4)cccc32)c1F
InChIInChI=1S/C17H10F4O2/c18-13-11-5-4-8-9(12(11)14(19)16(21)15(13)20)2-1-3-10(8)17-22-6-7-23-17/h1-5,17H,6-7H2
InChIKeyCKVOVEPTELRJPM-UHFFFAOYSA-N
MW322.26 g/mol
LogP4.59
Rot. Bonds1

About 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane

2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane (PubChem CID 172880341) has the molecular formula C17H10F4O2 and a molecular weight of 322.26 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane
PubChem CID172880341
Molecular FormulaC17H10F4O2
Molecular Weight322.26 g/mol
Exact Mass322.06
IUPAC Name2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane
SMILESFc1c(F)c(F)c2c(ccc3c(C4OCCO4)cccc32)c1F
InChIInChI=1S/C17H10F4O2/c18-13-11-5-4-8-9(12(11)14(19)16(21)15(13)20)2-1-3-10(8)17-22-6-7-23-17/h1-5,17H,6-7H2
InChIKeyCKVOVEPTELRJPM-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane (CID 172880341) is 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane is Fc1c(F)c(F)c2c(ccc3c(C4OCCO4)cccc32)c1F.
What is the InChIKey of 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane?
The InChIKey is CKVOVEPTELRJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4O2/c18-13-11-5-4-8-9(12(11)14(19)16(21)15(13)20)2-1-3-10(8)17-22-6-7-23-17/h1-5,17H,6-7H2.
What are the key properties of 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane?
2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane has a molecular weight of 322.26 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrafluorophenanthren-1-yl)-1,3-dioxolane is sourced from PubChem (CID 172880341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).