2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine

C8H14F3NS — CID 80722665

IUPAC2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC1(CNCC(F)(F)F)CCCS1
InChIInChI=1S/C8H14F3NS/c1-7(3-2-4-13-7)5-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyAEBVRARPEWQPFX-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.42
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 80722665) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID80722665
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC1(CNCC(F)(F)F)CCCS1
InChIInChI=1S/C8H14F3NS/c1-7(3-2-4-13-7)5-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyAEBVRARPEWQPFX-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2,2,2-trifluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 64166227
5-methyl-N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 79950682
3-(aminomethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 79950713
3,3,3-trifluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585461
2,2-difluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 80585583
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
2-methyl-N-(5,5,5-trifluoropentyl)thiolan-3-amine
CID 102672630
1,1-difluoro-N-(thiolan-2-ylmethyl)propan-2-amine
CID 102869792

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine (CID 80722665) is 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine is CC1(CNCC(F)(F)F)CCCS1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is AEBVRARPEWQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-7(3-2-4-13-7)5-12-6-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 213.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80722665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).