2-(3-bromophenyl)-3-(difluoromethyl)oxetane

C10H9BrF2O — CID 168860187

IUPAC2-(3-bromophenyl)-3-(difluoromethyl)oxetane
SMILESFC(F)C1COC1c1cccc(Br)c1
InChIInChI=1S/C10H9BrF2O/c11-7-3-1-2-6(4-7)9-8(5-14-9)10(12)13/h1-4,8-10H,5H2
InChIKeyXJTDNBJCYYZKDS-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.40
Rot. Bonds2

About 2-(3-bromophenyl)-3-(difluoromethyl)oxetane

2-(3-bromophenyl)-3-(difluoromethyl)oxetane (PubChem CID 168860187) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(difluoromethyl)oxetane.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(difluoromethyl)oxetane
PubChem CID168860187
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name2-(3-bromophenyl)-3-(difluoromethyl)oxetane
SMILESFC(F)C1COC1c1cccc(Br)c1
InChIInChI=1S/C10H9BrF2O/c11-7-3-1-2-6(4-7)9-8(5-14-9)10(12)13/h1-4,8-10H,5H2
InChIKeyXJTDNBJCYYZKDS-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(difluoromethyl)oxetane?
The IUPAC name of 2-(3-bromophenyl)-3-(difluoromethyl)oxetane (CID 168860187) is 2-(3-bromophenyl)-3-(difluoromethyl)oxetane.
What is the SMILES notation for 2-(3-bromophenyl)-3-(difluoromethyl)oxetane?
The canonical SMILES for 2-(3-bromophenyl)-3-(difluoromethyl)oxetane is FC(F)C1COC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(difluoromethyl)oxetane?
The InChIKey is XJTDNBJCYYZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c11-7-3-1-2-6(4-7)9-8(5-14-9)10(12)13/h1-4,8-10H,5H2.
What are the key properties of 2-(3-bromophenyl)-3-(difluoromethyl)oxetane?
2-(3-bromophenyl)-3-(difluoromethyl)oxetane has a molecular weight of 263.08 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(difluoromethyl)oxetane is sourced from PubChem (CID 168860187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).