2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol

C8H6BrF3O — CID 116841188

IUPAC2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1cc(Br)ccc1F
InChIInChI=1S/C8H6BrF3O/c9-5-1-2-7(10)6(3-5)8(11,12)4-13/h1-3,13H,4H2
InChIKeyRMEHAKRAKQWFQT-UHFFFAOYSA-N
MW255.03 g/mol
LogP2.67
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol

2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol (PubChem CID 116841188) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
PubChem CID116841188
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1cc(Br)ccc1F
InChIInChI=1S/C8H6BrF3O/c9-5-1-2-7(10)6(3-5)8(11,12)4-13/h1-3,13H,4H2
InChIKeyRMEHAKRAKQWFQT-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
N-[2-(5-bromo-2-fluorophenyl)-1,3-dihydroxypropan-2-yl]-2-chloroacetamide
CID 66665606
(3R)-3-(5-bromo-2-fluorophenyl)-4-[(S)-tert-butylsulfinyl]-2,2-difluoro-3-methylbutan-1-ol
CID 58563006
2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol
CID 164884626
[[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]amino]-tert-butylsulfanium
CID 152885106
2-(5-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 150097607
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
N-[2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-chloroacetamide
CID 66665738
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol (CID 116841188) is 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol is OCC(F)(F)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol?
The InChIKey is RMEHAKRAKQWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-5-1-2-7(10)6(3-5)8(11,12)4-13/h1-3,13H,4H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol?
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol has a molecular weight of 255.03 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 116841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).