4-(3-bromo-4-fluoroanilino)oxolan-3-ol

C10H11BrFNO2 — CID 104777599

IUPAC4-(3-bromo-4-fluoroanilino)oxolan-3-ol
SMILESOC1COCC1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO2/c11-7-3-6(1-2-8(7)12)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2
InChIKeyOUENVTLLXHGKDK-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.76
Rot. Bonds2

About 4-(3-bromo-4-fluoroanilino)oxolan-3-ol

4-(3-bromo-4-fluoroanilino)oxolan-3-ol (PubChem CID 104777599) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 4-(3-bromo-4-fluoroanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(3-bromo-4-fluoroanilino)oxolan-3-ol
PubChem CID104777599
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name4-(3-bromo-4-fluoroanilino)oxolan-3-ol
SMILESOC1COCC1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO2/c11-7-3-6(1-2-8(7)12)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2
InChIKeyOUENVTLLXHGKDK-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluoroanilino)oxolan-3-ol?
The IUPAC name of 4-(3-bromo-4-fluoroanilino)oxolan-3-ol (CID 104777599) is 4-(3-bromo-4-fluoroanilino)oxolan-3-ol.
What is the SMILES notation for 4-(3-bromo-4-fluoroanilino)oxolan-3-ol?
The canonical SMILES for 4-(3-bromo-4-fluoroanilino)oxolan-3-ol is OC1COCC1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluoroanilino)oxolan-3-ol?
The InChIKey is OUENVTLLXHGKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-7-3-6(1-2-8(7)12)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2.
What are the key properties of 4-(3-bromo-4-fluoroanilino)oxolan-3-ol?
4-(3-bromo-4-fluoroanilino)oxolan-3-ol has a molecular weight of 276.11 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluoroanilino)oxolan-3-ol is sourced from PubChem (CID 104777599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).