2-(4-bromo-2-fluorophenyl)oxolan-3-amine

C10H11BrFNO — CID 79365861

IUPAC2-(4-bromo-2-fluorophenyl)oxolan-3-amine
SMILESNC1CCOC1c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO/c11-6-1-2-7(8(12)5-6)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2
InChIKeyFFQFHUHYJUCLRD-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.38
Rot. Bonds1

About 2-(4-bromo-2-fluorophenyl)oxolan-3-amine

2-(4-bromo-2-fluorophenyl)oxolan-3-amine (PubChem CID 79365861) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)oxolan-3-amine
PubChem CID79365861
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-(4-bromo-2-fluorophenyl)oxolan-3-amine
SMILESNC1CCOC1c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO/c11-6-1-2-7(8(12)5-6)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2
InChIKeyFFQFHUHYJUCLRD-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)oxolan-3-amine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)oxolan-3-amine (CID 79365861) is 2-(4-bromo-2-fluorophenyl)oxolan-3-amine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)oxolan-3-amine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)oxolan-3-amine is NC1CCOC1c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)oxolan-3-amine?
The InChIKey is FFQFHUHYJUCLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-6-1-2-7(8(12)5-6)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)oxolan-3-amine?
2-(4-bromo-2-fluorophenyl)oxolan-3-amine has a molecular weight of 260.11 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)oxolan-3-amine is sourced from PubChem (CID 79365861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).