5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene

C14H10BrF3 — CID 114939714

IUPAC5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
SMILESFC(F)(F)C(Br)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H10BrF3/c15-13(14(16,17)18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5H2
InChIKeyFPFVGIYUZNQACH-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.94
Rot. Bonds1

About 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene

5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene (PubChem CID 114939714) has the molecular formula C14H10BrF3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
PubChem CID114939714
Molecular FormulaC14H10BrF3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
SMILESFC(F)(F)C(Br)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H10BrF3/c15-13(14(16,17)18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5H2
InChIKeyFPFVGIYUZNQACH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene (CID 114939714) is 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene is FC(F)(F)C(Br)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
The InChIKey is FPFVGIYUZNQACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3/c15-13(14(16,17)18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5H2.
What are the key properties of 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene has a molecular weight of 315.13 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 114939714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).