2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol

C8H11F2NOS — CID 104857740

IUPAC2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1ccsc1
InChIInChI=1S/C8H11F2NOS/c9-8(10,6-12)5-11-3-7-1-2-13-4-7/h1-2,4,11-12H,3,5-6H2
InChIKeyXGJIOEDANSVQMY-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.47
Rot. Bonds5

About 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol

2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol (PubChem CID 104857740) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol
PubChem CID104857740
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1ccsc1
InChIInChI=1S/C8H11F2NOS/c9-8(10,6-12)5-11-3-7-1-2-13-4-7/h1-2,4,11-12H,3,5-6H2
InChIKeyXGJIOEDANSVQMY-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-{[(thiophen-3-yl)methyl]amino}propan-1-ol
CID 4723833
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
(3-Thienylmethyl)(2,2,2-trifluoroethyl)amine
CID 24694116
2-[(3-Thienylmethyl)(4,4,4-trifluorobutyl)amino]butan-1-ol
CID 50978911
(2S)-2-[thiophen-3-ylmethyl(4,4,4-trifluorobutyl)amino]butan-1-ol
CID 52398256
(2R)-2-[thiophen-3-ylmethyl(4,4,4-trifluorobutyl)amino]butan-1-ol
CID 52398258
N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733754
1,1,1-Trifluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 61529878
3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine
CID 63226392
2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 63248352
1,1,1-Trifluoro-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 63899583
N-(thiophen-3-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65804287

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol (CID 104857740) is 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol is OCC(F)(F)CNCc1ccsc1.
What is the InChIKey of 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol?
The InChIKey is XGJIOEDANSVQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c9-8(10,6-12)5-11-3-7-1-2-13-4-7/h1-2,4,11-12H,3,5-6H2.
What are the key properties of 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol has a molecular weight of 207.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 104857740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).