1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene

C9H9BrF2O — CID 60921505

IUPAC1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
SMILESFC(F)COc1ccc(CBr)cc1
InChIInChI=1S/C9H9BrF2O/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,9H,5-6H2
InChIKeyWAZITLMYGULIBU-UHFFFAOYSA-N
MW251.07 g/mol
LogP3.23
Rot. Bonds4

About 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene

1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene (PubChem CID 60921505) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
PubChem CID60921505
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
SMILESFC(F)COc1ccc(CBr)cc1
InChIInChI=1S/C9H9BrF2O/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,9H,5-6H2
InChIKeyWAZITLMYGULIBU-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene
CID 151671980
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
CID 107086638
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
CID 122039917

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene?
The IUPAC name of 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene (CID 60921505) is 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene is FC(F)COc1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene?
The InChIKey is WAZITLMYGULIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,9H,5-6H2.
What are the key properties of 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene?
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene has a molecular weight of 251.07 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene is sourced from PubChem (CID 60921505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).