[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone

C18H12F3NOS — CID 24873485

IUPAC[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SMILESNc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIInChI=1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2
InChIKeyHNHLVOBHWXLIGP-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.25
Rot. Bonds3

About [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone

[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone (PubChem CID 24873485) has the molecular formula C18H12F3NOS and a molecular weight of 347.36 g/mol. Its IUPAC name is [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
PubChem CID24873485
Molecular FormulaC18H12F3NOS
Molecular Weight347.36 g/mol
Exact Mass347.06
IUPAC Name[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SMILESNc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIInChI=1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2
InChIKeyHNHLVOBHWXLIGP-UHFFFAOYSA-N
XLogP5.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone (CID 24873485) is [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone is Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
The InChIKey is HNHLVOBHWXLIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2.
What are the key properties of [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone has a molecular weight of 347.36 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone is sourced from PubChem (CID 24873485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).