2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine

C6H10F3NS — CID 131515927

IUPAC2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine
SMILESNC(C1CCCS1)C(F)(F)F
InChIInChI=1S/C6H10F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h4-5H,1-3,10H2
InChIKeyDODJWDCBQXCRPB-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.77
Rot. Bonds1

About 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine

2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine (PubChem CID 131515927) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine
PubChem CID131515927
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine
SMILESNC(C1CCCS1)C(F)(F)F
InChIInChI=1S/C6H10F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h4-5H,1-3,10H2
InChIKeyDODJWDCBQXCRPB-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(thiolan-2-yl)ethanamine
CID 131583841
1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130565162
(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
CID 127264190
thiolan-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 80622365
1-(thiolan-2-yl)but-3-en-1-amine
CID 80622584
1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine
CID 154518540
cycloheptyl(thiolan-2-yl)methanamine
CID 82932614
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783553
4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
1-(thiolan-2-yl)ethylhydrazine
CID 105255514

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine (CID 131515927) is 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine is NC(C1CCCS1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine?
The InChIKey is DODJWDCBQXCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h4-5H,1-3,10H2.
What are the key properties of 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine?
2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine has a molecular weight of 185.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 131515927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).