3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane

C11H10BrF3O — CID 73425037

IUPAC3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane
SMILESFC(F)(F)c1ccc(Br)c(CC2COC2)c1
InChIInChI=1S/C11H10BrF3O/c12-10-2-1-9(11(13,14)15)4-8(10)3-7-5-16-6-7/h1-2,4,7H,3,5-6H2
InChIKeyUMLSRZLTYRRAPJ-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.66
Rot. Bonds2

About 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane

3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane (PubChem CID 73425037) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane.

Molecular Properties

Compound Name3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane
PubChem CID73425037
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane
SMILESFC(F)(F)c1ccc(Br)c(CC2COC2)c1
InChIInChI=1S/C11H10BrF3O/c12-10-2-1-9(11(13,14)15)4-8(10)3-7-5-16-6-7/h1-2,4,7H,3,5-6H2
InChIKeyUMLSRZLTYRRAPJ-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 162340810
2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
CID 105486416
2-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 174622825
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
1-bromo-2-(prop-2-enoxymethyl)-4-(trifluoromethyl)benzene
CID 164866860
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanamine
CID 115846640
4-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-3-cyclopropyl-5-methyl-1,2-oxazole
CID 71223487
4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 158280060
N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
CID 114042727
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104
2-bromo-1-[2-bromo-5-(trifluoromethyl)phenyl]hexan-3-one
CID 114043605
tert-butyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 162340809

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane?
The IUPAC name of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane (CID 73425037) is 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane.
What is the SMILES notation for 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane?
The canonical SMILES for 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane is FC(F)(F)c1ccc(Br)c(CC2COC2)c1.
What is the InChIKey of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane?
The InChIKey is UMLSRZLTYRRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c12-10-2-1-9(11(13,14)15)4-8(10)3-7-5-16-6-7/h1-2,4,7H,3,5-6H2.
What are the key properties of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane?
3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane has a molecular weight of 295.10 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane is sourced from PubChem (CID 73425037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).