3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol

C13H13F2NOS — CID 65189427

IUPAC3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccsc1
InChIInChI=1S/C13H13F2NOS/c14-10-3-9(4-11(15)5-10)12(6-16)13(17)8-1-2-18-7-8/h1-5,7,12-13,17H,6,16H2
InChIKeyYVMXNDDHOAZZFM-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol

3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol (PubChem CID 65189427) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol
PubChem CID65189427
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccsc1
InChIInChI=1S/C13H13F2NOS/c14-10-3-9(4-11(15)5-10)12(6-16)13(17)8-1-2-18-7-8/h1-5,7,12-13,17H,6,16H2
InChIKeyYVMXNDDHOAZZFM-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

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CID 2809735
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[3-(Aminomethyl)-2-thienyl](phenyl)methanol
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(4-Fluorophenyl)(2-thienyl)methanol
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(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459
2-[1-(4-Fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 75428274
1-(3,4-Difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol
CID 18969752
(4-Fluorophenyl)(3-thienyl)methanol
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CID 20571132
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CID 59280913

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol (CID 65189427) is 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1ccsc1.
What is the InChIKey of 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is YVMXNDDHOAZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c14-10-3-9(4-11(15)5-10)12(6-16)13(17)8-1-2-18-7-8/h1-5,7,12-13,17H,6,16H2.
What are the key properties of 3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol?
3-amino-2-(3,5-difluorophenyl)-1-thiophen-3-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-2-(3,5-difluorophenyl)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65189427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).