N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H14F3NS — CID 63226524

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(CNCCC(F)(F)F)c(C)s1
InChIInChI=1S/C10H14F3NS/c1-7-5-9(8(2)15-7)6-14-4-3-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyRXPSXJHLXHOSGR-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.41
Rot. Bonds4

About N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63226524) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63226524
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(CNCCC(F)(F)F)c(C)s1
InChIInChI=1S/C10H14F3NS/c1-7-5-9(8(2)15-7)6-14-4-3-10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyRXPSXJHLXHOSGR-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-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 N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 63226524) is N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine is Cc1cc(CNCCC(F)(F)F)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is RXPSXJHLXHOSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-7-5-9(8(2)15-7)6-14-4-3-10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).