2-(4-bromophenoxy)-2,2-difluoroethanol

C8H7BrF2O2 — CID 118664754

IUPAC2-(4-bromophenoxy)-2,2-difluoroethanol
SMILESOCC(F)(F)Oc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF2O2/c9-6-1-3-7(4-2-6)13-8(10,11)5-12/h1-4,12H,5H2
InChIKeyKTBLJFRMOBDPLW-UHFFFAOYSA-N
MW253.04 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-bromophenoxy)-2,2-difluoroethanol

2-(4-bromophenoxy)-2,2-difluoroethanol (PubChem CID 118664754) has the molecular formula C8H7BrF2O2 and a molecular weight of 253.04 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(4-bromophenoxy)-2,2-difluoroethanol
PubChem CID118664754
Molecular FormulaC8H7BrF2O2
Molecular Weight253.04 g/mol
Exact Mass251.96
IUPAC Name2-(4-bromophenoxy)-2,2-difluoroethanol
SMILESOCC(F)(F)Oc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF2O2/c9-6-1-3-7(4-2-6)13-8(10,11)5-12/h1-4,12H,5H2
InChIKeyKTBLJFRMOBDPLW-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
CID 169242990
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride
CID 173455323
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
1-bromo-4-(1,1-difluoroethoxy)benzene;O-(4-bromophenyl) ethanethioate
CID 162098488
1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68761219
2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol
CID 66582585
5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane
CID 176709828
5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 86677430
1-bromo-4-[4-[difluoro(methylsulfanyl)methoxy]phenyl]benzene
CID 23242779
2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium
CID 160846358
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-2,2-difluoroethanol?
The IUPAC name of 2-(4-bromophenoxy)-2,2-difluoroethanol (CID 118664754) is 2-(4-bromophenoxy)-2,2-difluoroethanol.
What is the SMILES notation for 2-(4-bromophenoxy)-2,2-difluoroethanol?
The canonical SMILES for 2-(4-bromophenoxy)-2,2-difluoroethanol is OCC(F)(F)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-2,2-difluoroethanol?
The InChIKey is KTBLJFRMOBDPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O2/c9-6-1-3-7(4-2-6)13-8(10,11)5-12/h1-4,12H,5H2.
What are the key properties of 2-(4-bromophenoxy)-2,2-difluoroethanol?
2-(4-bromophenoxy)-2,2-difluoroethanol has a molecular weight of 253.04 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-2,2-difluoroethanol is sourced from PubChem (CID 118664754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).