N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine

C12H10F3NOS — CID 66352968

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
SMILESFC(F)(F)Oc1ccccc1CNc1ccsc1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)17-11-4-2-1-3-9(11)7-16-10-5-6-18-8-10/h1-6,8,16H,7H2
InChIKeyZWYVVTWCIVBXBP-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.26
Rot. Bonds4

About N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine

N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine (PubChem CID 66352968) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
PubChem CID66352968
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
SMILESFC(F)(F)Oc1ccccc1CNc1ccsc1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)17-11-4-2-1-3-9(11)7-16-10-5-6-18-8-10/h1-6,8,16H,7H2
InChIKeyZWYVVTWCIVBXBP-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2-methyl-1-(thiophen-3-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111848165
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
N-(naphthalen-1-ylmethyl)thiophen-3-amine
CID 66351259
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
N-[(3-methylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 112722504
2-[(thiophen-3-ylamino)methyl]benzoic acid
CID 103255817
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine (CID 66352968) is N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine is FC(F)(F)Oc1ccccc1CNc1ccsc1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
The InChIKey is ZWYVVTWCIVBXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c13-12(14,15)17-11-4-2-1-3-9(11)7-16-10-5-6-18-8-10/h1-6,8,16H,7H2.
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine?
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine has a molecular weight of 273.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine is sourced from PubChem (CID 66352968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).