(4-bromophenyl)methoxymethyl-trifluoroboranuide

C8H8BBrF3O- — CID 82826221

IUPAC(4-bromophenyl)methoxymethyl-trifluoroboranuide
SMILESF[B-](F)(F)COCc1ccc(Br)cc1
InChIInChI=1S/C8H8BBrF3O/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4H,5-6H2/q-1
InChIKeySVSYVADELIPHGM-UHFFFAOYSA-N
MW267.86 g/mol
LogP3.35
Rot. Bonds4

About (4-bromophenyl)methoxymethyl-trifluoroboranuide

(4-bromophenyl)methoxymethyl-trifluoroboranuide (PubChem CID 82826221) has the molecular formula C8H8BBrF3O- and a molecular weight of 267.86 g/mol. Its IUPAC name is (4-bromophenyl)methoxymethyl-trifluoroboranuide.

Molecular Properties

Compound Name(4-bromophenyl)methoxymethyl-trifluoroboranuide
PubChem CID82826221
Molecular FormulaC8H8BBrF3O-
Molecular Weight267.86 g/mol
Exact Mass266.98
IUPAC Name(4-bromophenyl)methoxymethyl-trifluoroboranuide
SMILESF[B-](F)(F)COCc1ccc(Br)cc1
InChIInChI=1S/C8H8BBrF3O/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4H,5-6H2/q-1
InChIKeySVSYVADELIPHGM-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.86
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
CID 91659041
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
2-[(4-bromophenyl)methoxy]acetamide
CID 82831352
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
CID 82827974
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene
CID 103066182
(E)-4-[(4-bromophenyl)methoxy]-2,3,4,4-tetradeuteriobut-2-en-1-ol
CID 10083994
3-[(4-bromophenyl)methoxy]propanethioamide
CID 82827144

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methoxymethyl-trifluoroboranuide?
The IUPAC name of (4-bromophenyl)methoxymethyl-trifluoroboranuide (CID 82826221) is (4-bromophenyl)methoxymethyl-trifluoroboranuide.
What is the SMILES notation for (4-bromophenyl)methoxymethyl-trifluoroboranuide?
The canonical SMILES for (4-bromophenyl)methoxymethyl-trifluoroboranuide is F[B-](F)(F)COCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methoxymethyl-trifluoroboranuide?
The InChIKey is SVSYVADELIPHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BBrF3O/c10-8-3-1-7(2-4-8)5-14-6-9(11,12)13/h1-4H,5-6H2/q-1.
What are the key properties of (4-bromophenyl)methoxymethyl-trifluoroboranuide?
(4-bromophenyl)methoxymethyl-trifluoroboranuide has a molecular weight of 267.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methoxymethyl-trifluoroboranuide is sourced from PubChem (CID 82826221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).