3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C11H16F3NOS — CID 63902098

IUPAC3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C(C)NCC(O)C(F)(F)F)c(C)s1
InChIInChI=1S/C11H16F3NOS/c1-6-4-9(8(3)17-6)7(2)15-5-10(16)11(12,13)14/h4,7,10,15-16H,5H2,1-3H3
InChIKeyNWXSPVCVJSAAOR-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.94
Rot. Bonds4

About 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63902098) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63902098
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C(C)NCC(O)C(F)(F)F)c(C)s1
InChIInChI=1S/C11H16F3NOS/c1-6-4-9(8(3)17-6)7(2)15-5-10(16)11(12,13)14/h4,7,10,15-16H,5H2,1-3H3
InChIKeyNWXSPVCVJSAAOR-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol
CID 63931939
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179370
4-fluoro-2-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]phenol
CID 104581913
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43096436
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
CID 97239246
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81133562
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 63902098) is 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is Cc1cc(C(C)NCC(O)C(F)(F)F)c(C)s1.
What is the InChIKey of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is NWXSPVCVJSAAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-6-4-9(8(3)17-6)7(2)15-5-10(16)11(12,13)14/h4,7,10,15-16H,5H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 267.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).