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

C8H11F2NOS — CID 103731415

IUPAC1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccsc1)C(F)F
InChIInChI=1S/C8H11F2NOS/c9-8(10)7(12)4-11-3-6-1-2-13-5-6/h1-2,5,7-8,11-12H,3-4H2
InChIKeyJSXKTNNLGCQKGK-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.46
Rot. Bonds5

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

1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 103731415) has the molecular formula C8H11F2NOS and a molecular weight of 207.25 g/mol. Its IUPAC name is 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID103731415
Molecular FormulaC8H11F2NOS
Molecular Weight207.25 g/mol
Exact Mass207.05
IUPAC Name1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccsc1)C(F)F
InChIInChI=1S/C8H11F2NOS/c9-8(10)7(12)4-11-3-6-1-2-13-5-6/h1-2,5,7-8,11-12H,3-4H2
InChIKeyJSXKTNNLGCQKGK-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.46
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-Methoxyethyl)(3-thienylmethyl)amine hydrochloride
CID 17332357
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 164636247
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

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol (CID 103731415) is 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol is OC(CNCc1ccsc1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is JSXKTNNLGCQKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c9-8(10)7(12)4-11-3-6-1-2-13-5-6/h1-2,5,7-8,11-12H,3-4H2.
What are the key properties of 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol?
1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 207.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103731415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).