3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine

C11H13F6NS — CID 103309616

IUPAC3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1cccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NS/c1-2-5-18-8(7-4-3-6-19-7)9(10(12,13)14)11(15,16)17/h3-4,6,8-9,18H,2,5H2,1H3
InChIKeyAHEMOMQRGJGCBY-UHFFFAOYSA-N
MW305.29 g/mol
LogP4.53
Rot. Bonds5

About 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309616) has the molecular formula C11H13F6NS and a molecular weight of 305.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
PubChem CID103309616
Molecular FormulaC11H13F6NS
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1cccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NS/c1-2-5-18-8(7-4-3-6-19-7)9(10(12,13)14)11(15,16)17/h3-4,6,8-9,18H,2,5H2,1H3
InChIKeyAHEMOMQRGJGCBY-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)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

Related Compounds

N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 64534607
3,3,3-trifluoro-1-(2-methylphenyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311710
3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 43495942
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103309620
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine (CID 103309616) is 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine is CCCNC(c1cccs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is AHEMOMQRGJGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6NS/c1-2-5-18-8(7-4-3-6-19-7)9(10(12,13)14)11(15,16)17/h3-4,6,8-9,18H,2,5H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 305.29 g/mol, XLogP of 4.53, 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-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).