thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

C12H10F3NOS — CID 55132689

IUPACthiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)17-9-4-1-3-8(7-9)11(16)10-5-2-6-18-10/h1-7,11H,16H2
InChIKeyHEZAOTGKIZQERB-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.69
Rot. Bonds3

About thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine

thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 55132689) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Namethiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID55132689
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Namethiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)17-9-4-1-3-8(7-9)11(16)10-5-2-6-18-10/h1-7,11H,16H2
InChIKeyHEZAOTGKIZQERB-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854014
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
2-[(S)-amino(thiophen-2-yl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210148
4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145864
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854012
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
(S)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242513
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 79197999
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine (CID 55132689) is thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)(F)F)c1)c1cccs1.
What is the InChIKey of thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is HEZAOTGKIZQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c13-12(14,15)17-9-4-1-3-8(7-9)11(16)10-5-2-6-18-10/h1-7,11H,16H2.
What are the key properties of thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine?
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 273.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 55132689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).