2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine

C11H14F3NOS — CID 114749163

IUPAC2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1cscc1C1CCOC1
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)7-15-3-9-5-17-6-10(9)8-1-2-16-4-8/h5-6,8,15H,1-4,7H2
InChIKeyMELHLDUZCZPNAR-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.90
Rot. Bonds4

About 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine (PubChem CID 114749163) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine
PubChem CID114749163
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1cscc1C1CCOC1
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)7-15-3-9-5-17-6-10(9)8-1-2-16-4-8/h5-6,8,15H,1-4,7H2
InChIKeyMELHLDUZCZPNAR-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine
CID 114748868
2,2,2-trifluoro-N-[[4-(4-fluorophenyl)thiophen-3-yl]methyl]ethanamine
CID 114749148
N-[[4-(4-bromophenyl)thiophen-3-yl]methyl]-2,2,2-trifluoroethanamine
CID 114749182
N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
CID 126997872
2,2,2-trifluoro-N-[2-(oxan-4-yloxy)ethyl]ethanamine
CID 62584985
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80713697
N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
CID 165400243
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 82753840
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine (CID 114749163) is 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine is FC(F)(F)CNCc1cscc1C1CCOC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine?
The InChIKey is MELHLDUZCZPNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c12-11(13,14)7-15-3-9-5-17-6-10(9)8-1-2-16-4-8/h5-6,8,15H,1-4,7H2.
What are the key properties of 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine has a molecular weight of 265.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 114749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).