3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol

C13H13F2NOS — CID 65190346

IUPAC3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NOS/c14-8-3-4-9(11(15)6-8)13(17)10(7-16)12-2-1-5-18-12/h1-6,10,13,17H,7,16H2
InChIKeyGLHAPZIAPLBHPF-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol

3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol (PubChem CID 65190346) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
PubChem CID65190346
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NOS/c14-8-3-4-9(11(15)6-8)13(17)10(7-16)12-2-1-5-18-12/h1-6,10,13,17H,7,16H2
InChIKeyGLHAPZIAPLBHPF-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190198
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
CID 107966805
3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol
CID 81129934
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol (CID 65190346) is 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol is NCC(c1cccs1)C(O)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
The InChIKey is GLHAPZIAPLBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c14-8-3-4-9(11(15)6-8)13(17)10(7-16)12-2-1-5-18-12/h1-6,10,13,17H,7,16H2.
What are the key properties of 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol has a molecular weight of 269.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65190346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).