2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol

C10H10BrF3O — CID 69266671

IUPAC2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrF3O/c1-9(15,6-10(12,13)14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyGGGVCGBSKYOUFZ-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol

2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol (PubChem CID 69266671) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol
PubChem CID69266671
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrF3O/c1-9(15,6-10(12,13)14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyGGGVCGBSKYOUFZ-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol (CID 69266671) is 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol is CC(O)(CC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol?
The InChIKey is GGGVCGBSKYOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-9(15,6-10(12,13)14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol?
2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol has a molecular weight of 283.09 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 69266671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).