2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline

C14H13F4NS — CID 63462752

IUPAC2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
SMILESCCC(Nc1cc(C(F)(F)F)ccc1F)c1cccs1
InChIInChI=1S/C14H13F4NS/c1-2-11(13-4-3-7-20-13)19-12-8-9(14(16,17)18)5-6-10(12)15/h3-8,11,19H,2H2,1H3
InChIKeyMYMKAODIIPKGBT-UHFFFAOYSA-N
MW303.32 g/mol
LogP5.47
Rot. Bonds4

About 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline

2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline (PubChem CID 63462752) has the molecular formula C14H13F4NS and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
PubChem CID63462752
Molecular FormulaC14H13F4NS
Molecular Weight303.32 g/mol
Exact Mass303.07
IUPAC Name2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
SMILESCCC(Nc1cc(C(F)(F)F)ccc1F)c1cccs1
InChIInChI=1S/C14H13F4NS/c1-2-11(13-4-3-7-20-13)19-12-8-9(14(16,17)18)5-6-10(12)15/h3-8,11,19H,2H2,1H3
InChIKeyMYMKAODIIPKGBT-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.32
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710634
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline (CID 63462752) is 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline is CCC(Nc1cc(C(F)(F)F)ccc1F)c1cccs1.
What is the InChIKey of 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline?
The InChIKey is MYMKAODIIPKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NS/c1-2-11(13-4-3-7-20-13)19-12-8-9(14(16,17)18)5-6-10(12)15/h3-8,11,19H,2H2,1H3.
What are the key properties of 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline?
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline has a molecular weight of 303.32 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).