4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine

C10H14F3NOS — CID 104992724

IUPAC4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1sccc1OC
InChIInChI=1S/C10H14F3NOS/c1-14-7(3-5-10(11,12)13)9-8(15-2)4-6-16-9/h4,6-7,14H,3,5H2,1-2H3
InChIKeyWFGFHKLNGSGMAD-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.36
Rot. Bonds5

About 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine

4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine (PubChem CID 104992724) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
PubChem CID104992724
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1sccc1OC
InChIInChI=1S/C10H14F3NOS/c1-14-7(3-5-10(11,12)13)9-8(15-2)4-6-16-9/h4,6-7,14H,3,5H2,1-2H3
InChIKeyWFGFHKLNGSGMAD-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine (CID 104992724) is 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine is CNC(CCC(F)(F)F)c1sccc1OC.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
The InChIKey is WFGFHKLNGSGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-14-7(3-5-10(11,12)13)9-8(15-2)4-6-16-9/h4,6-7,14H,3,5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine?
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 104992724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).