N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine

C12H10F3NOS — CID 142601274

IUPACN-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine
SMILESCNc1csc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H10F3NOS/c1-16-9-6-11(18-7-9)8-2-4-10(5-3-8)17-12(13,14)15/h2-7,16H,1H3
InChIKeyAEVOBIXIXIUHRN-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.36
Rot. Bonds3

About N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine

N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine (PubChem CID 142601274) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine.

Molecular Properties

Compound NameN-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine
PubChem CID142601274
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC NameN-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine
SMILESCNc1csc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H10F3NOS/c1-16-9-6-11(18-7-9)8-2-4-10(5-3-8)17-12(13,14)15/h2-7,16H,1H3
InChIKeyAEVOBIXIXIUHRN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19014313
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CID 19014321
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CID 20026745
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CID 28449641
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CID 43380610
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CID 57088879
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CID 57202363
CID 57202363

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine?
The IUPAC name of N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine (CID 142601274) is N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine.
What is the SMILES notation for N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine?
The canonical SMILES for N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine is CNc1csc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine?
The InChIKey is AEVOBIXIXIUHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-16-9-6-11(18-7-9)8-2-4-10(5-3-8)17-12(13,14)15/h2-7,16H,1H3.
What are the key properties of N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine?
N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine has a molecular weight of 273.28 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-3-amine is sourced from PubChem (CID 142601274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).