3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane

C31H26BrFO2 — CID 170414277

IUPAC3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(Br)cc43)cc2)COC1
InChIInChI=1S/C31H26BrFO2/c1-2-30(18-34-19-30)20-35-25-14-9-22(10-15-25)31(21-7-12-24(33)13-8-21)28-6-4-3-5-26(28)27-16-11-23(32)17-29(27)31/h3-17H,2,18-20H2,1H3
InChIKeyHOHIESQLGXXTKS-UHFFFAOYSA-N
MW529.45 g/mol
LogP7.76
Rot. Bonds6

About 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane

3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane (PubChem CID 170414277) has the molecular formula C31H26BrFO2 and a molecular weight of 529.45 g/mol. Its IUPAC name is 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane
PubChem CID170414277
Molecular FormulaC31H26BrFO2
Molecular Weight529.45 g/mol
Exact Mass528.11
IUPAC Name3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(Br)cc43)cc2)COC1
InChIInChI=1S/C31H26BrFO2/c1-2-30(18-34-19-30)20-35-25-14-9-22(10-15-25)31(21-7-12-24(33)13-8-21)28-6-4-3-5-26(28)27-16-11-23(32)17-29(27)31/h3-17H,2,18-20H2,1H3
InChIKeyHOHIESQLGXXTKS-UHFFFAOYSA-N
XLogP7.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.45
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane?
The IUPAC name of 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane (CID 170414277) is 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane.
What is the SMILES notation for 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane?
The canonical SMILES for 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane is CCC1(COc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(Br)cc43)cc2)COC1.
What is the InChIKey of 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane?
The InChIKey is HOHIESQLGXXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrFO2/c1-2-30(18-34-19-30)20-35-25-14-9-22(10-15-25)31(21-7-12-24(33)13-8-21)28-6-4-3-5-26(28)27-16-11-23(32)17-29(27)31/h3-17H,2,18-20H2,1H3.
What are the key properties of 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane?
3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane has a molecular weight of 529.45 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-bromo-9-(4-fluorophenyl)fluoren-9-yl]phenoxy]methyl]-3-ethyloxetane is sourced from PubChem (CID 170414277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).