3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine

C14H14F3NS — CID 63225903

IUPAC3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine
SMILESFC(F)(F)CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H14F3NS/c15-14(16,17)6-7-18-9-13-8-12(10-19-13)11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2
InChIKeyJZIKXBUDOKHDPK-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.46
Rot. Bonds5

About 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 63225903) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine
PubChem CID63225903
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine
SMILESFC(F)(F)CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H14F3NS/c15-14(16,17)6-7-18-9-13-8-12(10-19-13)11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2
InChIKeyJZIKXBUDOKHDPK-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine (CID 63225903) is 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine is FC(F)(F)CCNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is JZIKXBUDOKHDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c15-14(16,17)6-7-18-9-13-8-12(10-19-13)11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2.
What are the key properties of 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-phenylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63225903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).