(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine

C7H8F3NS — CID 94413392

IUPAC(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
SMILESN[C@H](Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2/t6-/m1/s1
InChIKeyJZIOYEJXMKNDLL-ZCFIWIBFSA-N
MW195.21 g/mol
LogP2.18
Rot. Bonds2

About (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine

(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine (PubChem CID 94413392) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
PubChem CID94413392
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
SMILESN[C@H](Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2/t6-/m1/s1
InChIKeyJZIOYEJXMKNDLL-ZCFIWIBFSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
3-(2-fluoropropyl)thiophene
CID 74766003
3-(2,2-dibromoethyl)thiophene
CID 174416053
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
CID 105137519
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2-ethylbutyl)thiophene
CID 89133993

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine (CID 94413392) is (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine is N[C@H](Cc1ccsc1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
The InChIKey is JZIOYEJXMKNDLL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2/t6-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine has a molecular weight of 195.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 94413392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).