(1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine

C6H6F3NS — CID 55277068

IUPAC(1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine
SMILESN[C@H](c1ccsc1)C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5H,10H2/t5-/m1/s1
InChIKeyMOYLBHXBCYMVJQ-RXMQYKEDSA-N
MW181.18 g/mol
LogP2.31
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine

(1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine (PubChem CID 55277068) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine
PubChem CID55277068
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name(1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine
SMILESN[C@H](c1ccsc1)C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5H,10H2/t5-/m1/s1
InChIKeyMOYLBHXBCYMVJQ-RXMQYKEDSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Thienyl)ethanamine
CID 12258737
2-(Thiophen-3-yl)prop-2-en-1-amine
CID 13583271
1-(Thiophen-3-yl)ethan-1-amine
CID 14249915
2,2,2-Trifluoro-1-(thiophen-2-YL)ethanamine
CID 11171338
[5-(Trifluoromethyl)thiophen-3-yl]methanamine
CID 82654407
[4-(Trifluoromethyl)thiophen-2-yl]methanamine hydrochloride
CID 137944252
(1R)-1-(thiophen-3-yl)ethan-1-amine hydrochloride
CID 154575277
1-[3-(Difluoromethyl)thiophen-2-yl]methanamine hydrochloride
CID 165994215
3-(2-Azido-1,1-difluoroethyl)thiophene
CID 151183532
2-(Thiophen-3-yl)-ethane-1,2-diamine
CID 43519541
1-[3-(Trifluoromethyl)thiophen-2-yl]ethanamine
CID 22135191
(E)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 25014181

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine (CID 55277068) is (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine is N[C@H](c1ccsc1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The InChIKey is MOYLBHXBCYMVJQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5H,10H2/t5-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
(1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine has a molecular weight of 181.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-thiophen-3-ylethanamine is sourced from PubChem (CID 55277068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).