3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol

C15H14F3NO — CID 65185411

IUPAC3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO/c16-9-5-6-11(14(18)7-9)15(20)12(8-19)10-3-1-2-4-13(10)17/h1-7,12,15,20H,8,19H2
InChIKeyZOXOANPZDJTQKB-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol

3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 65185411) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID65185411
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO/c16-9-5-6-11(14(18)7-9)15(20)12(8-19)10-3-1-2-4-13(10)17/h1-7,12,15,20H,8,19H2
InChIKeyZOXOANPZDJTQKB-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190346
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706
3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185462
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol (CID 65185411) is 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol is NCC(c1ccccc1F)C(O)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is ZOXOANPZDJTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-9-5-6-11(14(18)7-9)15(20)12(8-19)10-3-1-2-4-13(10)17/h1-7,12,15,20H,8,19H2.
What are the key properties of 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 281.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).