4-(4-bromo-2-fluoroanilino)oxolan-3-ol

C10H11BrFNO2 — CID 60898846

IUPAC4-(4-bromo-2-fluoroanilino)oxolan-3-ol
SMILESOC1COCC1Nc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c11-6-1-2-8(7(12)3-6)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2
InChIKeyLAPHGEZGKZFBMI-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.76
Rot. Bonds2

About 4-(4-bromo-2-fluoroanilino)oxolan-3-ol

4-(4-bromo-2-fluoroanilino)oxolan-3-ol (PubChem CID 60898846) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)oxolan-3-ol
PubChem CID60898846
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name4-(4-bromo-2-fluoroanilino)oxolan-3-ol
SMILESOC1COCC1Nc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c11-6-1-2-8(7(12)3-6)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2
InChIKeyLAPHGEZGKZFBMI-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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Related Compounds

2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
4-(4-bromo-2-fluoroanilino)-1,1-dioxothiolan-3-ol
CID 60885079
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
CID 126846659
4-(2-chloro-4-iodoanilino)oxolan-3-ol
CID 107606411
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
4-(3-fluoroanilino)oxolan-3-ol
CID 60896820
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
CID 93384487
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 116527392
2-(2,4-difluoroanilino)cyclobutan-1-ol
CID 126856726

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)oxolan-3-ol?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)oxolan-3-ol (CID 60898846) is 4-(4-bromo-2-fluoroanilino)oxolan-3-ol.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)oxolan-3-ol?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)oxolan-3-ol is OC1COCC1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)oxolan-3-ol?
The InChIKey is LAPHGEZGKZFBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-6-1-2-8(7(12)3-6)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2.
What are the key properties of 4-(4-bromo-2-fluoroanilino)oxolan-3-ol?
4-(4-bromo-2-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-(4-bromo-2-fluoroanilino)oxolan-3-ol is sourced from PubChem (CID 60898846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).