2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine

C8H16F3NS — CID 116617554

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
SMILESCCCC(CN)CCSC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-2-3-7(6-12)4-5-13-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyVXFSAOZRMVBMMV-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.00
Rot. Bonds6

About 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine

2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine (PubChem CID 116617554) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
PubChem CID116617554
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
SMILESCCCC(CN)CCSC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-2-3-7(6-12)4-5-13-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyVXFSAOZRMVBMMV-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-(trifluoromethyl)thian-2-amine
CID 58388320
5-Methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
CID 91346030
7-(Aminomethylsulfanyl)-3-(trifluoromethyl)heptan-2-amine
CID 129095905
1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 62721727
2-(Cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
CID 63119330
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
2-(5-Fluorothiepan-4-yl)ethanamine
CID 84767505
2-(4,4-Difluorothian-3-yl)ethanamine
CID 84768506
[3-(2,2,2-Trifluoroethyl)thian-4-yl]methanamine
CID 84782841
2-(Cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine (CID 116617554) is 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine is CCCC(CN)CCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
The InChIKey is VXFSAOZRMVBMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-2-3-7(6-12)4-5-13-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine has a molecular weight of 215.28 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine is sourced from PubChem (CID 116617554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).