1-(2-bromoethoxy)-3-(difluoromethyl)benzene

C9H9BrF2O — CID 121207937

IUPAC1-(2-bromoethoxy)-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(OCCBr)c1
InChIInChI=1S/C9H9BrF2O/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6,9H,4-5H2
InChIKeyUFXFKRSRILVGBK-UHFFFAOYSA-N
MW251.07 g/mol
LogP3.40
Rot. Bonds4

About 1-(2-bromoethoxy)-3-(difluoromethyl)benzene

1-(2-bromoethoxy)-3-(difluoromethyl)benzene (PubChem CID 121207937) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-(difluoromethyl)benzene
PubChem CID121207937
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name1-(2-bromoethoxy)-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(OCCBr)c1
InChIInChI=1S/C9H9BrF2O/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6,9H,4-5H2
InChIKeyUFXFKRSRILVGBK-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 53.40
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

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-[3-(1-fluoroethyl)phenoxy]propan-1-amine
CID 115021072
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
(2S)-1-amino-3-[3-(difluoromethyl)phenoxy]propan-2-ol
CID 142633969
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
1,3-bis(10-bromodecoxy)benzene
CID 11800753

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-(difluoromethyl)benzene?
The IUPAC name of 1-(2-bromoethoxy)-3-(difluoromethyl)benzene (CID 121207937) is 1-(2-bromoethoxy)-3-(difluoromethyl)benzene.
What is the SMILES notation for 1-(2-bromoethoxy)-3-(difluoromethyl)benzene?
The canonical SMILES for 1-(2-bromoethoxy)-3-(difluoromethyl)benzene is FC(F)c1cccc(OCCBr)c1.
What is the InChIKey of 1-(2-bromoethoxy)-3-(difluoromethyl)benzene?
The InChIKey is UFXFKRSRILVGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6,9H,4-5H2.
What are the key properties of 1-(2-bromoethoxy)-3-(difluoromethyl)benzene?
1-(2-bromoethoxy)-3-(difluoromethyl)benzene has a molecular weight of 251.07 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3-(difluoromethyl)benzene is sourced from PubChem (CID 121207937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).