2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol

C10H15F2NOS — CID 104860527

IUPAC2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
SMILESCc1ccsc1C(C)NCC(F)(F)CO
InChIInChI=1S/C10H15F2NOS/c1-7-3-4-15-9(7)8(2)13-5-10(11,12)6-14/h3-4,8,13-14H,5-6H2,1-2H3
InChIKeyKMJZGTKCFKXOCQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.33
Rot. Bonds5

About 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol

2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol (PubChem CID 104860527) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
PubChem CID104860527
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
SMILESCc1ccsc1C(C)NCC(F)(F)CO
InChIInChI=1S/C10H15F2NOS/c1-7-3-4-15-9(7)8(2)13-5-10(11,12)6-14/h3-4,8,13-14H,5-6H2,1-2H3
InChIKeyKMJZGTKCFKXOCQ-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574
2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575
2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
2,2-difluoro-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860525
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63993286
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol (CID 104860527) is 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol is Cc1ccsc1C(C)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol?
The InChIKey is KMJZGTKCFKXOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-7-3-4-15-9(7)8(2)13-5-10(11,12)6-14/h3-4,8,13-14H,5-6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol?
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol has a molecular weight of 235.30 g/mol, XLogP of 2.33, 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-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 104860527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).