2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol

C16H16BrFO — CID 21396520

IUPAC2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
SMILESCC(O)(CCF)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrFO/c1-16(19,10-11-18)14-6-2-12(3-7-14)13-4-8-15(17)9-5-13/h2-9,19H,10-11H2,1H3
InChIKeyQMLFUUHDGAUURA-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.68
Rot. Bonds4

About 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol

2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol (PubChem CID 21396520) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
PubChem CID21396520
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
SMILESCC(O)(CCF)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrFO/c1-16(19,10-11-18)14-6-2-12(3-7-14)13-4-8-15(17)9-5-13/h2-9,19H,10-11H2,1H3
InChIKeyQMLFUUHDGAUURA-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol?
The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol (CID 21396520) is 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol?
The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol is CC(O)(CCF)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol?
The InChIKey is QMLFUUHDGAUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-16(19,10-11-18)14-6-2-12(3-7-14)13-4-8-15(17)9-5-13/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol?
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol has a molecular weight of 323.21 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol is sourced from PubChem (CID 21396520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).