(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine

C15H15F3N2O2S — CID 132566799

IUPAC(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine
SMILESO=[N+]([O-])C[C@](NCCc1cccs1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H15F3N2O2S/c16-15(17,18)14(11-20(21)22,12-5-2-1-3-6-12)19-9-8-13-7-4-10-23-13/h1-7,10,19H,8-9,11H2/t14-/m0/s1
InChIKeyMWVCRJKQHBYWNZ-AWEZNQCLSA-N
MW344.36 g/mol
LogP3.61
Rot. Bonds7

About (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine

(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine (PubChem CID 132566799) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine
PubChem CID132566799
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine
SMILESO=[N+]([O-])C[C@](NCCc1cccs1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H15F3N2O2S/c16-15(17,18)14(11-20(21)22,12-5-2-1-3-6-12)19-9-8-13-7-4-10-23-13/h1-7,10,19H,8-9,11H2/t14-/m0/s1
InChIKeyMWVCRJKQHBYWNZ-AWEZNQCLSA-N
XLogP3.61
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
CID 101163483
N'-methyl-2-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 67733715
N'-methyl-2-(3-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 67733730
(1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
CID 11358096
2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28473175
N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43490607
N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 43495978
N-methyl-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43527408
N-methyl-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43527413
N-methyl-N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43527417
N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43528083
N-methyl-N-(thiophen-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43528088

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine?
The IUPAC name of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine (CID 132566799) is (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine is O=[N+]([O-])C[C@](NCCc1cccs1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine?
The InChIKey is MWVCRJKQHBYWNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c16-15(17,18)14(11-20(21)22,12-5-2-1-3-6-12)19-9-8-13-7-4-10-23-13/h1-7,10,19H,8-9,11H2/t14-/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine?
(2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine has a molecular weight of 344.36 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-nitro-2-phenyl-N-(2-thiophen-2-ylethyl)propan-2-amine is sourced from PubChem (CID 132566799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).