1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol

C10H11BrF2O2 — CID 169242990

IUPAC1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)Oc1ccc(Br)cc1
InChIInChI=1S/C10H11BrF2O2/c1-9(2,14)10(12,13)15-8-5-3-7(11)4-6-8/h3-6,14H,1-2H3
InChIKeyDZHVCRFTCQQSRR-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol

1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 169242990) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
PubChem CID169242990
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)Oc1ccc(Br)cc1
InChIInChI=1S/C10H11BrF2O2/c1-9(2,14)10(12,13)15-8-5-3-7(11)4-6-8/h3-6,14H,1-2H3
InChIKeyDZHVCRFTCQQSRR-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium;1-bromo-4-(1,1,2,2,2-pentafluoroethoxy)benzene;hydride
CID 173455323
1-bromo-4-(1,1-difluoroethoxy)benzene;O-(4-bromophenyl) ethanethioate
CID 162098488
2-(4-bromophenoxy)-2,2-difluoroethanol
CID 118664754
3-(4-bromophenoxy)-3-methylbutan-2-ol
CID 57460956
3-(4-bromophenoxy)-3-hydroxybutanoic acid
CID 22751463
1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68761219
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
1-bromo-4-[4-[difluoro(methylsulfanyl)methoxy]phenyl]benzene
CID 23242779
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 86677430
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 175409271

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol (CID 169242990) is 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol is CC(C)(O)C(F)(F)Oc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol?
The InChIKey is DZHVCRFTCQQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c1-9(2,14)10(12,13)15-8-5-3-7(11)4-6-8/h3-6,14H,1-2H3.
What are the key properties of 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol?
1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 281.10 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 169242990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).