[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite

C8H6BrF3O — CID 176550278

IUPAC[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite
SMILESFOC(F)(F)c1cccc(CBr)c1
InChIInChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)8(10,11)13-12/h1-4H,5H2
InChIKeyKUZOLQCKJWTGSA-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.53
Rot. Bonds3

About [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite

[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite (PubChem CID 176550278) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite.

Molecular Properties

Compound Name[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite
PubChem CID176550278
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite
SMILESFOC(F)(F)c1cccc(CBr)c1
InChIInChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)8(10,11)13-12/h1-4H,5H2
InChIKeyKUZOLQCKJWTGSA-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 53.53
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)-3-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene
CID 162007263
2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane
CID 18619316
1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
CID 167725245
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
[3-(bromomethyl)phenyl]methanamine
CID 67540206
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
CID 175350764
CID 175350764
1-(bromomethyl)-3-[3-(bromomethyl)phenyl]sulfanylbenzene
CID 140753778
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990

Frequently Asked Questions

What is the IUPAC name of [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite?
The IUPAC name of [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite (CID 176550278) is [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite.
What is the SMILES notation for [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite?
The canonical SMILES for [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite is FOC(F)(F)c1cccc(CBr)c1.
What is the InChIKey of [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite?
The InChIKey is KUZOLQCKJWTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)8(10,11)13-12/h1-4H,5H2.
What are the key properties of [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite?
[[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite has a molecular weight of 255.03 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(bromomethyl)phenyl]-difluoromethyl] hypofluorite is sourced from PubChem (CID 176550278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).