(2-bromo-1,1-difluoroethoxy)benzene

C8H7BrF2O — CID 141224533

IUPAC(2-bromo-1,1-difluoroethoxy)benzene
SMILESFC(F)(CBr)Oc1ccccc1
InChIInChI=1S/C8H7BrF2O/c9-6-8(10,11)12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySTXVEEILRCTFFC-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.05
Rot. Bonds3

About (2-bromo-1,1-difluoroethoxy)benzene

(2-bromo-1,1-difluoroethoxy)benzene (PubChem CID 141224533) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is (2-bromo-1,1-difluoroethoxy)benzene.

Molecular Properties

Compound Name(2-bromo-1,1-difluoroethoxy)benzene
PubChem CID141224533
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name(2-bromo-1,1-difluoroethoxy)benzene
SMILESFC(F)(CBr)Oc1ccccc1
InChIInChI=1S/C8H7BrF2O/c9-6-8(10,11)12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySTXVEEILRCTFFC-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-1,1-diphenoxyethyl)silane
CID 173116529
trifluoromethoxybenzene
CID 157402708
4,4-difluoro-4-phenoxybutan-1-ol
CID 86066774
trifluoromethoxybenzene fluoride
CID 158305019
methyl 4-(2-bromo-1,1-difluoroethoxy)benzoate
CID 177342628
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
1,1,4-tribromobutoxybenzene
CID 141137005
(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
CID 91459981
1,1,1,3,3,3-hexafluoro-2-phenoxypropane-2-thiol
CID 144882533
triiodomethoxybenzene
CID 70252618

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,1-difluoroethoxy)benzene?
The IUPAC name of (2-bromo-1,1-difluoroethoxy)benzene (CID 141224533) is (2-bromo-1,1-difluoroethoxy)benzene.
What is the SMILES notation for (2-bromo-1,1-difluoroethoxy)benzene?
The canonical SMILES for (2-bromo-1,1-difluoroethoxy)benzene is FC(F)(CBr)Oc1ccccc1.
What is the InChIKey of (2-bromo-1,1-difluoroethoxy)benzene?
The InChIKey is STXVEEILRCTFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c9-6-8(10,11)12-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of (2-bromo-1,1-difluoroethoxy)benzene?
(2-bromo-1,1-difluoroethoxy)benzene has a molecular weight of 237.04 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,1-difluoroethoxy)benzene is sourced from PubChem (CID 141224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).