2-(3-bromo-4-fluorophenyl)-2-methyloxetane

C10H10BrFO — CID 154575257

IUPAC2-(3-bromo-4-fluorophenyl)-2-methyloxetane
SMILESCC1(c2ccc(F)c(Br)c2)CCO1
InChIInChI=1S/C10H10BrFO/c1-10(4-5-13-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyBTRDHHZXGFRKIF-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.22
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-2-methyloxetane

2-(3-bromo-4-fluorophenyl)-2-methyloxetane (PubChem CID 154575257) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-methyloxetane.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-methyloxetane
PubChem CID154575257
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-methyloxetane
SMILESCC1(c2ccc(F)c(Br)c2)CCO1
InChIInChI=1S/C10H10BrFO/c1-10(4-5-13-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyBTRDHHZXGFRKIF-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13219582
2-(4-Bromophenyl)-2-methyloxirane
CID 150702
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1,1'-Biphenyl, 3-bromo-4'-(ethoxymethyl)-
CID 3066125
1-Bromo-4-(ethoxymethyl)benzene
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1-Bromo-4-fluoro-2-(methoxymethyl)benzene
CID 2769414
1-Bromo-4-((propan-2-yloxy)methyl)benzene
CID 21876945
1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841
2-(4-Bromophenyl)-2-methyloxetane
CID 84134869
1-Bromo-4-(tert-butoxymethyl)benzene
CID 11096814

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-methyloxetane?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-methyloxetane (CID 154575257) is 2-(3-bromo-4-fluorophenyl)-2-methyloxetane.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-methyloxetane?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-methyloxetane is CC1(c2ccc(F)c(Br)c2)CCO1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-methyloxetane?
The InChIKey is BTRDHHZXGFRKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-10(4-5-13-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-methyloxetane?
2-(3-bromo-4-fluorophenyl)-2-methyloxetane has a molecular weight of 245.09 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-methyloxetane is sourced from PubChem (CID 154575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).