1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine

C8H14F3NS — CID 106797465

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine
SMILESCC(N)C1(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-6(12)7(2-3-7)4-5-13-8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyTTWNHFDQSZUBHQ-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.76
Rot. Bonds4

About 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine

1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine (PubChem CID 106797465) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine
PubChem CID106797465
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine
SMILESCC(N)C1(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NS/c1-6(12)7(2-3-7)4-5-13-8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyTTWNHFDQSZUBHQ-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine (CID 106797465) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine is CC(N)C1(CCSC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine?
The InChIKey is TTWNHFDQSZUBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-6(12)7(2-3-7)4-5-13-8(9,10)11/h6H,2-5,12H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine has a molecular weight of 213.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanamine is sourced from PubChem (CID 106797465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).