2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol

C15H14BrF2NO — CID 61047842

IUPAC2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C15H14BrF2NO/c1-15(9-20,11-8-10(17)6-7-13(11)18)19-14-5-3-2-4-12(14)16/h2-8,19-20H,9H2,1H3
InChIKeyHSFFPGZFKWCYQU-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol

2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol (PubChem CID 61047842) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol
PubChem CID61047842
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C15H14BrF2NO/c1-15(9-20,11-8-10(17)6-7-13(11)18)19-14-5-3-2-4-12(14)16/h2-8,19-20H,9H2,1H3
InChIKeyHSFFPGZFKWCYQU-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol (CID 61047842) is 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol is CC(CO)(Nc1ccccc1Br)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is HSFFPGZFKWCYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-15(9-20,11-8-10(17)6-7-13(11)18)19-14-5-3-2-4-12(14)16/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol?
2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 342.18 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61047842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).