1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine

C6H6F3NS — CID 175336002

IUPAC1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine
SMILESFC(F)(F)NCc1cccs1
InChIInChI=1S/C6H6F3NS/c7-6(8,9)10-4-5-2-1-3-11-5/h1-3,10H,4H2
InChIKeyLKYNRKVHRFDRPR-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.36
Rot. Bonds2

About 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine

1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 175336002) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine
PubChem CID175336002
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine
SMILESFC(F)(F)NCc1cccs1
InChIInChI=1S/C6H6F3NS/c7-6(8,9)10-4-5-2-1-3-11-5/h1-3,10H,4H2
InChIKeyLKYNRKVHRFDRPR-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine (CID 175336002) is 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine is FC(F)(F)NCc1cccs1.
What is the InChIKey of 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is LKYNRKVHRFDRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c7-6(8,9)10-4-5-2-1-3-11-5/h1-3,10H,4H2.
What are the key properties of 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine?
1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 181.18 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 175336002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).