3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol

C13H13F2NOS — CID 65189992

IUPAC3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NOS/c14-9-3-1-4-10(15)12(9)13(17)8(7-16)11-5-2-6-18-11/h1-6,8,13,17H,7,16H2
InChIKeyDHYCUYRUVOMDBD-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol

3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol (PubChem CID 65189992) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
PubChem CID65189992
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
SMILESNCC(c1cccs1)C(O)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NOS/c14-9-3-1-4-10(15)12(9)13(17)8(7-16)11-5-2-6-18-11/h1-6,8,13,17H,7,16H2
InChIKeyDHYCUYRUVOMDBD-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
2-Amino-1-(1-benzothiophen-2-yl)ethan-1-ol
CID 2756344
[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
(4-Fluorophenyl)(2-thienyl)methanol
CID 10987480
(1S)-2-amino-1-(1-benzothiophen-2-yl)ethan-1-ol hydrochloride
CID 132398930
(2,3,4,5,6-Pentafluorophenyl)-thiophen-2-ylmethanol
CID 61088441
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459
(1S,2S)-2-amino-1-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propane-1,3-diol
CID 44461692
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71787865
2-[1-(4-Fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 75428274
(S)-1-(2-thienyl)-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 96350540

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol (CID 65189992) is 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol is NCC(c1cccs1)C(O)c1c(F)cccc1F.
What is the InChIKey of 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
The InChIKey is DHYCUYRUVOMDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c14-9-3-1-4-10(15)12(9)13(17)8(7-16)11-5-2-6-18-11/h1-6,8,13,17H,7,16H2.
What are the key properties of 3-amino-1-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol?
3-amino-1-(2,6-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-(2,6-difluorophenyl)-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65189992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).