4-(4-bromophenyl)-4-(fluoromethyl)oxane

C12H14BrFO — CID 67363098

IUPAC4-(4-bromophenyl)-4-(fluoromethyl)oxane
SMILESFCC1(c2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C12H14BrFO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9H2
InChIKeyFPODPQYUAIOYBR-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.47
Rot. Bonds2

About 4-(4-bromophenyl)-4-(fluoromethyl)oxane

4-(4-bromophenyl)-4-(fluoromethyl)oxane (PubChem CID 67363098) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-(fluoromethyl)oxane.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-(fluoromethyl)oxane
PubChem CID67363098
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name4-(4-bromophenyl)-4-(fluoromethyl)oxane
SMILESFCC1(c2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C12H14BrFO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9H2
InChIKeyFPODPQYUAIOYBR-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-(fluoromethyl)oxane?
The IUPAC name of 4-(4-bromophenyl)-4-(fluoromethyl)oxane (CID 67363098) is 4-(4-bromophenyl)-4-(fluoromethyl)oxane.
What is the SMILES notation for 4-(4-bromophenyl)-4-(fluoromethyl)oxane?
The canonical SMILES for 4-(4-bromophenyl)-4-(fluoromethyl)oxane is FCC1(c2ccc(Br)cc2)CCOCC1.
What is the InChIKey of 4-(4-bromophenyl)-4-(fluoromethyl)oxane?
The InChIKey is FPODPQYUAIOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9H2.
What are the key properties of 4-(4-bromophenyl)-4-(fluoromethyl)oxane?
4-(4-bromophenyl)-4-(fluoromethyl)oxane has a molecular weight of 273.14 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-(fluoromethyl)oxane is sourced from PubChem (CID 67363098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).