2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol

C10H13BrFNO — CID 139471205

IUPAC2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(Br)C(O)Nc1ccccc1F
InChIInChI=1S/C10H13BrFNO/c1-10(2,11)9(14)13-8-6-4-3-5-7(8)12/h3-6,9,13-14H,1-2H3
InChIKeyKNFBACSMYYYAMW-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.73
Rot. Bonds3

About 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol

2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol (PubChem CID 139471205) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol
PubChem CID139471205
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(Br)C(O)Nc1ccccc1F
InChIInChI=1S/C10H13BrFNO/c1-10(2,11)9(14)13-8-6-4-3-5-7(8)12/h3-6,9,13-14H,1-2H3
InChIKeyKNFBACSMYYYAMW-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol (CID 139471205) is 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol is CC(C)(Br)C(O)Nc1ccccc1F.
What is the InChIKey of 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol?
The InChIKey is KNFBACSMYYYAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-10(2,11)9(14)13-8-6-4-3-5-7(8)12/h3-6,9,13-14H,1-2H3.
What are the key properties of 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol?
2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 139471205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).