2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol

C14H11BrF2O — CID 150300967

IUPAC2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol
SMILESOC(c1ccccc1)C(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrF2O/c15-12-8-6-11(7-9-12)14(16,17)13(18)10-4-2-1-3-5-10/h1-9,13,18H
InChIKeyGJPGVSUMIHBORE-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.27
Rot. Bonds3

About 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol

2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol (PubChem CID 150300967) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol
PubChem CID150300967
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol
SMILESOC(c1ccccc1)C(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrF2O/c15-12-8-6-11(7-9-12)14(16,17)13(18)10-4-2-1-3-5-10/h1-9,13,18H
InChIKeyGJPGVSUMIHBORE-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol?
The IUPAC name of 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol (CID 150300967) is 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol.
What is the SMILES notation for 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol?
The canonical SMILES for 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol is OC(c1ccccc1)C(F)(F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol?
The InChIKey is GJPGVSUMIHBORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c15-12-8-6-11(7-9-12)14(16,17)13(18)10-4-2-1-3-5-10/h1-9,13,18H.
What are the key properties of 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol?
2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol has a molecular weight of 313.14 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2,2-difluoro-1-phenylethanol is sourced from PubChem (CID 150300967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).