N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine

C12H18F3NS — CID 79952596

IUPACN-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
SMILESCCNC(CCc1cccs1)CCC(F)(F)F
InChIInChI=1S/C12H18F3NS/c1-2-16-10(7-8-12(13,14)15)5-6-11-4-3-9-17-11/h3-4,9-10,16H,2,5-8H2,1H3
InChIKeyOCMVNLJZIICVHO-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.00
Rot. Bonds7

About N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine

N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine (PubChem CID 79952596) has the molecular formula C12H18F3NS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
PubChem CID79952596
Molecular FormulaC12H18F3NS
Molecular Weight265.34 g/mol
Exact Mass265.11
IUPAC NameN-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
SMILESCCNC(CCc1cccs1)CCC(F)(F)F
InChIInChI=1S/C12H18F3NS/c1-2-16-10(7-8-12(13,14)15)5-6-11-4-3-9-17-11/h3-4,9-10,16H,2,5-8H2,1H3
InChIKeyOCMVNLJZIICVHO-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine?
The IUPAC name of N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine (CID 79952596) is N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine.
What is the SMILES notation for N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine?
The canonical SMILES for N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine is CCNC(CCc1cccs1)CCC(F)(F)F.
What is the InChIKey of N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine?
The InChIKey is OCMVNLJZIICVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NS/c1-2-16-10(7-8-12(13,14)15)5-6-11-4-3-9-17-11/h3-4,9-10,16H,2,5-8H2,1H3.
What are the key properties of N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine?
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine has a molecular weight of 265.34 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine is sourced from PubChem (CID 79952596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).