5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine

C10H14F3NOS — CID 105024285

IUPAC5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
SMILESCOc1csc(C(N)CCCC(F)(F)F)c1
InChIInChI=1S/C10H14F3NOS/c1-15-7-5-9(16-6-7)8(14)3-2-4-10(11,12)13/h5-6,8H,2-4,14H2,1H3
InChIKeyZNNPZCOTMQIDRT-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.49
Rot. Bonds5

About 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine

5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine (PubChem CID 105024285) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
PubChem CID105024285
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
SMILESCOc1csc(C(N)CCCC(F)(F)F)c1
InChIInChI=1S/C10H14F3NOS/c1-15-7-5-9(16-6-7)8(14)3-2-4-10(11,12)13/h5-6,8H,2-4,14H2,1H3
InChIKeyZNNPZCOTMQIDRT-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780120
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 115847041
1-(4-methoxythiophen-2-yl)hex-5-en-1-ol
CID 115804240
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-5-methoxyphenol
CID 171200659

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine (CID 105024285) is 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine is COc1csc(C(N)CCCC(F)(F)F)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine?
The InChIKey is ZNNPZCOTMQIDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-15-7-5-9(16-6-7)8(14)3-2-4-10(11,12)13/h5-6,8H,2-4,14H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine?
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 105024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).