4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene

C8H5BrClF3O — CID 2773849

IUPAC4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(CBr)cc1Cl
InChIInChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2
InChIKeyYTXRMMJPEBWDPE-UHFFFAOYSA-N
MW289.48 g/mol
LogP4.13
Rot. Bonds2

About 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene

4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene (PubChem CID 2773849) has the molecular formula C8H5BrClF3O and a molecular weight of 289.48 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
PubChem CID2773849
Molecular FormulaC8H5BrClF3O
Molecular Weight289.48 g/mol
Exact Mass287.92
IUPAC Name4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(CBr)cc1Cl
InChIInChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2
InChIKeyYTXRMMJPEBWDPE-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene (CID 2773849) is 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene?
The InChIKey is YTXRMMJPEBWDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2.
What are the key properties of 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene?
4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene has a molecular weight of 289.48 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 2773849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).