1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine

C13H11F4NS — CID 107288851

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H11F4NS/c14-11-6-8(3-4-10(11)13(15,16)17)12(18)7-9-2-1-5-19-9/h1-6,12H,7,18H2
InChIKeyUEALRPRNTDETDC-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.15
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine (PubChem CID 107288851) has the molecular formula C13H11F4NS and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine
PubChem CID107288851
Molecular FormulaC13H11F4NS
Molecular Weight289.30 g/mol
Exact Mass289.05
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H11F4NS/c14-11-6-8(3-4-10(11)13(15,16)17)12(18)7-9-2-1-5-19-9/h1-6,12H,7,18H2
InChIKeyUEALRPRNTDETDC-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61077581
2-(2-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288822
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288838
2-thiophen-2-yl-1-[4-(trifluoromethyl)thiophen-3-yl]ethanamine
CID 112745542
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79218005
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine (CID 107288851) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine is NC(Cc1cccs1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine?
The InChIKey is UEALRPRNTDETDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NS/c14-11-6-8(3-4-10(11)13(15,16)17)12(18)7-9-2-1-5-19-9/h1-6,12H,7,18H2.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine has a molecular weight of 289.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 107288851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).